data_2na8_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 2na8 _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 ' 443' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.44 -0.207 . . . . 1.8600000000000001 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.58 -44.87 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.807 -0.812 . . . . 2.29 108.807 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.37 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.33 1.062 . . . . 2.5600000000000001 110.339 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.52 94.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 113.378 -1.737 . . . . 1.3899999999999999 112.194 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.52 -39.83 94.83 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.848 0.832 . . . . 2.3999999999999999 110.683 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.1 -42.47 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.007 -1.452 . . . . 1.75 110.297 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . 0.456 ' O ' ' OG1' ' A' ' 453' ' ' THR . 80.5 t -61.34 -47.05 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.032 -0.531 . . . . 1.8799999999999999 110.8 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 47.1 mt -63.37 -42.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 110.224 -0.287 . . . . 2.3700000000000001 110.224 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -54.69 -48.58 72.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.733 -1.187 . . . . 1.6299999999999999 109.253 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 47.6 mt -68.35 -36.52 79.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.078 -0.965 . . . . 2.7400000000000002 110.416 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 449' ' ' VAL . 13.0 m -58.62 -47.63 83.72 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.155 -0.618 . . . . 1.6899999999999999 110.417 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.19 -43.13 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.971 0.891 . . . . 2.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.48 75.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 113.736 -1.575 . . . . 1.21 111.401 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.34 -43.06 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.517 -0.179 . . . . 1.55 110.517 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.23 -43.9 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.344 -0.543 . . . . 1.3500000000000001 110.615 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.63 -40.47 88.75 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.23 0.538 . . . . 1.3999999999999999 110.457 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.503 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -55.31 -46.42 76.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.258 -0.883 . . . . 1.1000000000000001 110.324 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 464' ' ' GLY . 77.8 mt -63.33 -43.2 98.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 1.73 113.253 -177.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 464' ' ' GLY . 0.0 OUTLIER -71.17 -55.46 8.1 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.423 0.898 . . . . 3.7799999999999998 113.423 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.75 -39.07 67.94 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.471 -1.307 . . . . 0.82999999999999996 107.471 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 459' ' ' ALA . 74.1 m -77.48 -22.7 50.89 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 108.205 -1.035 . . . . 1.5800000000000001 108.205 176.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 461' ' ' ARG . . . -49.1 -56.45 10.28 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 114.237 -1.347 . . . . 0.48999999999999999 110.619 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 87.0 mt . . . . . 0 CA--C 1.521 -0.135 0 CA-C-N 118.691 1.246 . . . . 2.3500000000000001 109.109 179.447 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.247 0.07 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.23 -45.12 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.475 -0.49 . . . . 1.0 110.169 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.62 -41.79 99.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.439 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.95 97.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.999 -1.0 . . . . 1.0 112.175 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.55 -40.04 95.97 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.58 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.336 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.88 -42.75 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.425 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -43.7 98.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.961 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.23 -45.61 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 118.815 -1.154 . . . . 1.0 111.125 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 78.9 mt -66.7 -35.86 81.14 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.909 0.385 . . . . 1.0 111.403 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.3 m -64.13 -45.55 88.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.39 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 43.3 pt -69.11 -40.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 1.0 111.276 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.488 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.24 -45.31 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.636 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.07 -42.96 99.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.127 -0.629 . . . . 1.0 110.743 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.17 -41.92 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.84 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.05 79.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.568 0.581 . . . . 1.0 112.568 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.5 mp -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.975 -178.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.98 -44.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.823 -0.751 . . . . 1.0 109.387 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.35 -44.81 95.6 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.496 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.0 m -77.27 -22.41 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.259 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.81 -44.8 97.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.596 -1.002 . . . . 1.0 110.596 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . 0.4 HD12 HG21 ' A' ' 465' ' ' ILE . 94.4 mt . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.698 0.285 . . . . 1.0 110.712 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.277 0.084 . . . . 1.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.32 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.182 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.52 -41.46 98.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.378 0.609 . . . . 1.0 110.823 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.25 94.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.232 -0.894 . . . . 1.0 112.246 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.22 -41.23 99.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.245 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.74 -43.42 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 1.0 110.897 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.83 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.129 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.82 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.184 -0.207 . . . . 1.0 111.032 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.49 -47.33 86.6 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.536 -0.866 . . . . 1.0 110.37 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.22 -39.23 92.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.872 0.368 . . . . 1.0 110.638 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -61.68 -45.79 92.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.631 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.01 -42.2 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.468 0.652 . . . . 1.0 111.271 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.96 97.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.232 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.54 -44.91 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.512 0.19 . . . . 1.0 111.512 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.08 -43.25 99.05 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.699 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.3 -41.33 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 1.0 111.261 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.45 98.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.166 0.508 . . . . 1.0 111.579 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.1 mt -62.07 -43.19 99.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.194 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -45.61 91.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 1.0 109.137 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.09 -44.82 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.241 -0.891 . . . . 1.0 110.578 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.4 m -76.98 -24.19 52.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.465 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.03 -49.89 64.28 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--O 1.244 0.775 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 179.514 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.282 0.087 . . . . 1.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.42 -45.07 98.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 1.0 110.042 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.56 -41.93 99.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.605 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.67 95.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.224 -0.898 . . . . 1.0 112.468 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.78 -41.46 99.26 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.382 -0.826 . . . . 1.0 111.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 33.1 mm -62.19 -43.56 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.084 0.469 . . . . 1.0 110.008 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -44.2 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.917 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.7 -43.31 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.735 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -60.5 -46.28 90.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 119.016 -1.073 . . . . 1.0 110.598 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.2 tp -66.09 -40.71 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.042 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -63.2 -47.35 82.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.8 tt -69.65 -40.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.451 . . . . 1.0 111.637 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.87 99.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.481 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.08 -44.87 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.465 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.03 -42.98 99.89 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.446 -0.502 . . . . 1.0 111.033 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.449 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.382 0.61 . . . . 1.0 111.716 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.36 -43.66 98.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.178 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -67.23 -44.16 80.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.16 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.15 94.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.825 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.2 -20.04 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.177 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.249 -0.977 . . . . 1.0 110.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.1 mm . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.683 0.278 . . . . 1.0 110.783 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 111.172 0.064 . . . . 1.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.34 -44.06 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.029 0.442 . . . . 1.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -41.49 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.5 0.667 . . . . 1.0 110.493 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.67 96.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.025 -0.989 . . . . 1.0 111.914 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.97 -39.78 95.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.24 -41.79 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.82 -44.59 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.114 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.73 -43.49 98.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 121.238 -0.185 . . . . 1.0 111.088 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -60.21 -45.68 92.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 119.136 -1.025 . . . . 1.0 110.49 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.9 tp -66.35 -39.64 89.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.17 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -62.9 -46.94 85.45 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 9.0 tt -68.96 -39.73 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.997 0.427 . . . . 1.0 111.548 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.226 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.02 -45.28 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.642 -0.253 . . . . 1.0 111.33 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.3 -43.28 98.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.356 -0.537 . . . . 1.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.21 -41.18 97.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.335 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.82 98.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 1.0 111.498 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.8 mt -61.87 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.993 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.86 90.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.901 -0.778 . . . . 1.0 108.901 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.64 -44.98 95.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.689 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.58 -22.29 51.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.046 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.76 -50.02 67.73 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.321 -0.942 . . . . 1.0 111.158 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 1.0 110.442 179.705 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 112.79 0.663 . . . . 1.0 112.79 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.94 -38.31 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 1.0 110.361 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.57 -43.15 99.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.566 0.698 . . . . 1.0 110.21 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.61 94.71 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.948 -1.024 . . . . 1.0 112.151 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.43 -42.46 99.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.173 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.01 -41.66 91.89 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 CA-C-O 122.308 1.052 . . . . 1.0 110.093 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.42 -47.36 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 114.853 -1.067 . . . . 1.0 112.357 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 40.2 pt -62.75 -39.07 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.688 -0.632 . . . . 1.0 111.623 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.64 -46.02 91.89 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 118.547 -1.261 . . . . 1.0 110.432 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.56 -39.94 92.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 1.0 111.052 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 87.9 m -61.96 -45.55 93.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.681 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.72 -43.45 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.327 0.584 . . . . 1.0 111.246 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.95 98.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.081 -0.963 . . . . 1.0 111.508 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.14 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 121.078 -0.249 . . . . 1.0 111.328 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.38 -43.18 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.25 -41.33 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.323 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.01 98.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.181 0.515 . . . . 1.0 111.543 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.004 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.83 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.78 -45.05 95.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.737 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.56 -23.19 50.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.873 0.368 . . . . 1.0 110.103 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.16 -49.46 74.67 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.317 -0.944 . . . . 1.0 111.154 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 31.7 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.736 0.303 . . . . 1.0 110.204 179.643 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.513 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 69.3 p-90 . . . . . 0 N--CA 1.464 0.242 0 N-CA-C 111.82 0.304 . . . . 1.0 111.82 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.1 p -65.88 -38.1 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.33 -42.37 99.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.41 96.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.386 0.612 . . . . 1.0 111.441 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.38 -40.36 97.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.462 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.48 -43.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.505 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.1 t -61.64 -44.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.997 0.427 . . . . 1.0 110.573 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.1 mm -62.3 -42.57 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 119.073 -0.489 . . . . 1.0 111.636 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.65 -44.15 96.75 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.145 0.974 . . . . 1.0 109.764 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.11 -34.2 77.52 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.052 -1.431 . . . . 1.0 109.37 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 85.5 m -62.17 -42.14 98.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.326 1.06 . . . . 1.0 109.201 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.81 -43.1 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.446 -1.252 . . . . 1.0 109.97 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.66 75.88 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.164 0.507 . . . . 1.0 109.797 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.14 -43.59 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 1.0 110.765 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.22 -41.39 96.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.06 -40.21 97.02 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.099 -0.704 . . . . 1.0 109.099 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.84 77.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.771 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 9.4 mp -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.407 0.622 . . . . 1.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -44.98 89.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.285 -0.87 . . . . 1.0 108.879 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.03 -44.51 94.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.507 0.67 . . . . 1.0 109.585 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.9 m -69.93 -19.52 63.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 1.0 108.787 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -59.54 -34.48 81.59 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.788 -1.725 . . . . 1.0 108.788 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 32.2 mm . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.004 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.611 0.243 . . . . 1.0 110.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.99 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 1.0 109.917 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.43 -40.6 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.32 -0.854 . . . . 1.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.96 98.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.784 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.59 -40.85 98.22 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.862 0.363 . . . . 1.0 110.458 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.09 -43.05 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.055 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.98 -43.31 92.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.304 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 33.8 mm -63.43 -43.37 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.459 -0.496 . . . . 1.0 111.212 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -60.59 -45.67 93.12 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.976 -1.09 . . . . 1.0 110.559 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.82 -39.58 90.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.86 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 90.0 m -61.87 -45.55 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.586 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.55 -43.4 96.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.358 0.599 . . . . 1.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.19 99.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.742 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.11 -45.23 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.551 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.05 -42.96 99.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.101 -0.64 . . . . 1.0 110.771 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.22 -41.84 96.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.04 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.243 0.544 . . . . 1.0 112.37 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.85 -43.64 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.866 -0.607 . . . . 1.0 111.449 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.96 -44.52 80.35 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.156 -0.617 . . . . 1.0 110.144 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.56 92.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.872 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -18.51 51.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.233 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.26 -44.04 97.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.708 0.289 . . . . 1.0 110.566 179.233 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 . . . . . 0 C--O 1.226 -0.134 0 CA-C-O 120.566 0.222 . . . . 1.0 111.133 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.79 -43.45 97.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.258 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.216 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.61 97.35 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.446 0.641 . . . . 1.0 112.029 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.45 -39.19 93.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.354 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.96 -42.85 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.053 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . 0.413 ' O ' ' OG1' ' A' ' 453' ' ' THR . 67.0 t -63.87 -41.41 92.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.123 0.487 . . . . 1.0 110.704 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.44 -44.83 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.351 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -57.58 -44.9 85.67 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 118.317 -1.353 . . . . 1.0 109.703 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.37 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.447 -1.251 . . . . 1.0 110.3 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 449' ' ' VAL . 16.6 m -61.32 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.74 0.781 . . . . 1.0 110.175 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.4 -40.76 89.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 108.493 -0.928 . . . . 1.0 108.493 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -41.51 75.04 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.881 -0.728 . . . . 1.0 109.89 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.62 -43.35 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.343 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.25 -42.45 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.194 -0.602 . . . . 1.0 109.91 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.46 -40.86 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.287 0.565 . . . . 1.0 109.701 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.34 -39.59 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.256 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -40.9 98.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.705 -0.679 . . . . 1.0 110.984 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -43.92 87.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.543 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.3 -44.28 95.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.445 0.64 . . . . 1.0 109.369 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.1 -19.13 64.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.89 -1.05 . . . . 1.0 108.583 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.58 80.57 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.784 -1.726 . . . . 1.0 108.784 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.26 0.553 . . . . 1.0 109.71 177.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 112.491 0.552 . . . . 1.0 112.491 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . 0.423 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.2 p -65.64 -38.55 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.558 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -43.04 99.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.667 0.746 . . . . 1.0 109.43 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.7 98.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.988 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.17 -41.17 98.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.516 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.37 -42.76 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 1.0 110.575 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.73 -43.7 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.445 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.88 -43.61 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.302 -0.159 . . . . 1.0 110.73 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -60.94 -46.66 89.79 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.139 -1.024 . . . . 1.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.13 -40.48 94.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.443 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 51.4 p -62.86 -42.4 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.819 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.24 -43.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.63 -47.51 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.205 -0.907 . . . . 1.0 112.647 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.46 -41.5 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.334 -0.546 . . . . 1.0 111.744 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.0 -43.26 99.27 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.534 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.28 -40.91 96.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.211 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.65 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.354 0.597 . . . . 1.0 111.329 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.113 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -44.35 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.13 -0.628 . . . . 1.0 109.665 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.825 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.26 -26.12 58.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.285 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.91 -52.64 40.15 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 119.929 -1.129 . . . . 1.0 111.605 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.4 mm . . . . . 0 C--N 1.332 -0.176 0 O-C-N 122.718 -0.284 . . . . 1.0 110.868 179.775 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 112.736 0.643 . . . . 1.0 112.736 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 445' ' ' LEU . 2.0 m -63.76 -40.21 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 119.68 -0.808 . . . . 1.0 109.951 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 444' ' ' VAL . 54.2 tp -62.75 -41.93 99.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.429 0.633 . . . . 1.0 110.757 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.36 92.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.181 -0.918 . . . . 1.0 112.045 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.24 -41.26 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.107 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 448' ' ' ILE . 93.7 mt -62.69 -42.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.737 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.37 -44.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.359 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.93 -43.65 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 121.231 -0.188 . . . . 1.0 110.985 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.76 -46.42 90.54 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 118.632 -1.227 . . . . 1.0 110.322 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.89 -39.69 93.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 86.9 m -61.98 -45.71 92.46 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.421 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.25 -40.73 87.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 122.247 1.023 . . . . 1.0 110.575 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.43 96.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.539 -1.21 . . . . 1.0 110.443 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.33 -44.67 97.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.483 -0.487 . . . . 1.0 111.403 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.771 -0.772 . . . . 1.0 111.024 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.26 -40.76 96.66 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.784 -0.643 . . . . 1.0 111.24 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.89 -42.64 98.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.298 0.57 . . . . 1.0 111.548 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.1 mt -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.9 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -46.97 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.127 0.489 . . . . 1.0 109.796 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -62.21 -45.5 93.09 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.258 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -19.55 49.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.888 0.375 . . . . 1.0 110.089 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.74 -50.19 59.9 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.479 -0.867 . . . . 1.0 111.524 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 C--N 1.33 -0.268 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.926 -179.732 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.42 ' CE3' ' N ' ' A' ' 444' ' ' VAL . 67.3 p-90 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . 0.42 ' N ' ' CE3' ' A' ' 443' ' ' TRP . 15.0 p -63.9 -37.73 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.561 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.16 -40.92 98.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 1.0 110.06 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.85 85.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.61 -1.177 . . . . 1.0 112.152 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.03 -37.08 84.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.643 0.735 . . . . 1.0 110.688 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.01 -43.11 96.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.502 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.03 -44.81 95.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.619 -1.173 . . . . 1.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 32.3 mm -62.83 -43.62 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 O-C-N 121.955 -0.466 . . . . 1.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.73 -45.61 91.66 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.739 -1.185 . . . . 1.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.75 -39.62 91.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.415 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -61.77 -45.93 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.056 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 30.7 mm -64.66 -43.61 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.228 0.537 . . . . 1.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.217 -0.901 . . . . 1.0 111.629 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.36 -45.22 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.046 -0.262 . . . . 1.0 111.287 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.02 98.75 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.2 -41.47 97.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.701 . . . . 1.0 111.397 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.97 98.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.245 0.545 . . . . 1.0 111.665 -178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.04 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.119 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -65.21 -43.81 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.486 -0.486 . . . . 1.0 109.755 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.01 -45.14 94.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.785 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.48 -21.66 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.84 59.73 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.279 -0.962 . . . . 1.0 110.719 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 1.0 110.286 179.392 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 444' ' ' VAL . 31.0 p-90 . . . . . 0 C--O 1.23 0.058 0 N-CA-C 109.876 -0.416 . . . . 1.0 109.876 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . 0.568 ' N ' ' CG ' ' A' ' 443' ' ' TRP . 12.3 p -63.53 -38.07 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.531 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.69 -40.3 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.496 0.665 . . . . 1.0 110.738 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.23 99.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.968 -1.015 . . . . 1.0 112.402 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.58 -40.5 97.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.713 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 448' ' ' ILE . 93.8 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 -177.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.8 m -64.63 -37.14 79.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.652 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 35.2 mm -64.87 -44.6 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 120.144 -0.622 . . . . 1.0 110.169 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -56.55 -46.11 80.86 Favored 'General case' 0 C--O 1.246 0.876 0 C-N-CA 118.933 -1.107 . . . . 1.0 111.007 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -35.64 80.94 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.96 0.41 . . . . 1.0 111.46 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.8 m -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.449 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.13 -43.32 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.667 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.27 99.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 1.0 111.575 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.95 -45.12 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.07 -43.17 99.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.77 -40.3 95.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.235 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.459 0.647 . . . . 1.0 111.342 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.4 mt -61.93 -43.63 98.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 1.0 110.964 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -66.86 -44.4 81.05 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.037 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -62.55 -45.41 93.08 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.782 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -17.99 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.983 0.421 . . . . 1.0 109.934 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.61 -50.63 57.93 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 120.653 -0.784 . . . . 1.0 111.464 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.332 -0.193 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.474 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.437 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 64.8 p-90 . . . . . 0 N--CA 1.461 0.111 0 N-CA-C 109.819 -0.438 . . . . 1.0 109.819 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . 0.437 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 7.8 p -65.34 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.804 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.08 -41.76 98.52 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.44 0.638 . . . . 1.0 110.534 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.74 88.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 114.752 -1.113 . . . . 1.0 112.012 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.04 -41.41 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.184 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.99 -40.09 86.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.286 0 CA-C-O 122.489 1.138 . . . . 1.0 109.507 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.15 -43.56 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.047 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 39.6 mm -63.51 -44.54 98.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.542 -0.463 . . . . 1.0 109.882 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -58.77 -47.28 85.24 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.061 -1.056 . . . . 1.0 110.351 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.8 mt -64.83 -40.24 94.87 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.106 0.479 . . . . 1.0 110.815 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.8 m -61.63 -44.9 96.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.996 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.67 -44.83 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 122.084 0.945 . . . . 1.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.15 90.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.709 -1.132 . . . . 1.0 111.678 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.13 -45.44 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.46 -43.49 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.425 -0.51 . . . . 1.0 110.991 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.6 -41.55 96.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 1.0 111.419 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.14 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 1.0 111.791 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.71 -43.5 98.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.208 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -65.49 -43.99 88.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.698 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.76 -45.41 94.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.421 -0.808 . . . . 1.0 110.62 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.84 -19.93 54.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.69 -44.01 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.388 179.256 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 112.286 0.476 . . . . 1.0 112.286 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.9 -44.69 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.474 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.14 -40.76 98.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.628 0.727 . . . . 1.0 110.691 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.75 98.43 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.803 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.5 -40.86 98.07 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.925 -178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.56 -43.26 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.402 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.01 -42.08 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.75 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.093 -0.379 . . . . 1.0 110.752 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -59.71 -45.8 91.06 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 118.854 -1.138 . . . . 1.0 110.814 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.3 -37.98 86.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 1.0 111.417 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -63.82 -46.93 82.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.74 -0.664 . . . . 1.0 112.117 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 455' ' ' ALA . 6.4 tp -68.67 -39.87 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.051 0.453 . . . . 1.0 111.17 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 454' ' ' ILE . . . -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.48 -0.782 . . . . 1.0 111.339 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.09 -45.45 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.016 -0.274 . . . . 1.0 111.425 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.33 -43.35 97.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.49 -41.28 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 1.0 111.292 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.16 99.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.257 0.551 . . . . 1.0 111.619 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.188 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.06 -44.18 89.84 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.374 -0.531 . . . . 1.0 109.695 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.05 -44.81 94.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.569 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.2 m -76.35 -22.56 54.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.849 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.82 78.29 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.325 -0.94 . . . . 1.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.714 0.293 . . . . 1.0 110.463 179.822 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 . . . . . 0 CA--C 1.545 0.762 0 N-CA-C 112.756 0.65 . . . . 1.0 112.756 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 18.1 m -65.2 -38.51 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 119.309 -0.956 . . . . 1.0 110.441 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -42.74 99.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.657 0.741 . . . . 1.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.85 97.69 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.843 -1.071 . . . . 1.0 112.097 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.92 -40.58 95.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.91 -42.02 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.585 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 453' ' ' THR . 68.6 t -61.41 -44.22 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.865 -178.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 43.5 mm -63.01 -43.77 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 122.085 -0.385 . . . . 1.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -59.3 -46.51 88.38 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 118.912 -1.115 . . . . 1.0 110.257 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.691 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 449' ' ' VAL . 23.5 m -62.28 -45.71 92.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.028 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.58 -43.55 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.259 0.552 . . . . 1.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.82 99.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.629 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.93 -45.31 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.75 -0.204 . . . . 1.0 111.46 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.34 -43.34 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.43 -41.36 96.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.674 -0.694 . . . . 1.0 111.493 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.71 99.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.174 0.511 . . . . 1.0 111.646 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.0 mt -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.648 -0.706 . . . . 1.0 110.999 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -46.85 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.395 0.617 . . . . 1.0 109.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.79 -45.66 92.91 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.47 -0.786 . . . . 1.0 111.234 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -18.68 49.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.011 0.434 . . . . 1.0 110.165 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.78 -46.33 93.87 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.603 -0.808 . . . . 1.0 111.217 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 C--N 1.329 -0.299 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.475 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 110.082 -0.34 . . . . 1.0 110.082 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.0 -44.84 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 121.198 0.523 . . . . 1.0 109.952 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 1.0 111.08 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.53 97.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.663 . . . . 1.0 111.424 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.83 -41.01 97.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.92 -43.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.149 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.5 m -64.57 -38.32 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.232 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.2 -43.34 98.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 119.316 -0.373 . . . . 1.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -59.42 -45.64 90.97 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 119.151 -1.019 . . . . 1.0 110.096 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.05 -36.07 83.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.352 -1.295 . . . . 1.0 110.504 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.1 m -60.74 -44.59 96.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.339 0.59 . . . . 1.0 109.432 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.85 -40.43 87.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 CA-C-O 121.953 0.882 . . . . 1.0 109.413 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.9 83.27 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 118.31 -1.356 . . . . 1.0 109.742 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.97 -41.72 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.509 -0.769 . . . . 1.0 109.622 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.36 -42.13 99.16 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.076 -0.649 . . . . 1.0 109.567 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -40.95 98.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.791 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.78 79.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.159 -0.928 . . . . 1.0 110.325 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.36 -40.74 97.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -59.09 -43.39 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.415 -0.811 . . . . 1.0 109.462 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.5 -44.51 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.234 -0.654 . . . . 1.0 109.234 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -69.53 -19.17 63.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.056 . . . . 1.0 108.713 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.54 -34.13 79.94 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.766 -1.734 . . . . 1.0 108.766 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.6 mm . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 178.069 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 . . . . . 0 C--O 1.23 0.058 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -44.76 99.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.227 0.537 . . . . 1.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.618 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.914 -0.584 . . . . 1.0 112.04 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.67 -39.37 94.17 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.123 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -43.27 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.43 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.8 -42.71 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.732 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.36 -43.77 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.04 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -57.95 -45.09 87.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 119.253 -0.979 . . . . 1.0 109.862 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.88 -37.85 89.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.478 -1.237 . . . . 1.0 110.49 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.7 m -60.43 -43.19 97.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 1.0 109.754 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.6 -42.59 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.111 -0.949 . . . . 1.0 110.033 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -54.17 -38.38 65.51 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.046 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.19 -43.16 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.599 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.47 -42.3 98.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.76 -0.776 . . . . 1.0 110.336 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.65 -40.47 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 1.0 110.125 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.66 83.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.302 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.47 -40.59 97.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.983 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -58.68 -43.34 89.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.499 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.5 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.55 0.691 . . . . 1.0 109.365 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.2 m -69.26 -19.58 63.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.612 -1.176 . . . . 1.0 108.632 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.71 69.02 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 108.605 -1.798 . . . . 1.0 108.605 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.23 0.538 . . . . 1.0 109.632 178.041 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 112.698 0.629 . . . . 1.0 112.698 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.53 -31.73 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.062 -0.655 . . . . 1.0 110.187 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.96 -42.55 99.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 1.0 110.641 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.49 98.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.157 -0.928 . . . . 1.0 112.023 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.75 -39.82 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.627 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.49 -42.56 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.419 0.628 . . . . 1.0 110.552 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.47 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.493 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.49 -44.3 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.155 -0.341 . . . . 1.0 110.716 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -59.62 -46.29 89.4 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 118.972 -1.091 . . . . 1.0 110.378 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.97 -39.5 93.57 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.767 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 93.7 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.464 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 34.2 mm -65.7 -41.88 91.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.443 0.64 . . . . 1.0 110.884 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.27 95.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 1.0 111.433 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.49 -45.94 94.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.48 -44.53 94.13 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.111 -0.635 . . . . 1.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.95 -40.3 94.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.969 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.26 98.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.432 0.634 . . . . 1.0 111.316 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 464' ' ' GLY . 88.7 mt -62.23 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 1.0 110.914 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -66.64 -44.41 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.951 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.47 -45.67 91.96 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.866 -0.607 . . . . 1.0 110.626 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.92 -18.33 54.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 1.0 109.982 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -65.77 -51.48 46.3 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.495 -0.86 . . . . 1.0 111.25 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 N--CA 1.461 0.119 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.265 179.883 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 111.276 0.102 . . . . 1.0 111.276 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.32 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.45 -0.5 . . . . 1.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.83 -41.61 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.302 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.92 98.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.454 -0.794 . . . . 1.0 112.588 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.09 -41.21 99.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.348 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 448' ' ' ILE . 97.4 mt -62.29 -43.18 97.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.142 0.496 . . . . 1.0 110.847 -178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.3 t -63.64 -36.77 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-O 122.388 1.089 . . . . 1.0 110.449 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.39 -42.8 87.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.153 -0.967 . . . . 1.0 110.111 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.84 -45.85 92.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 118.885 -1.126 . . . . 1.0 109.961 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.78 -39.77 94.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.787 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 95.6 m -61.43 -46.52 89.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 40.7 mm -65.49 -41.71 91.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 122.627 1.203 . . . . 1.0 109.934 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.09 97.05 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.576 -1.193 . . . . 1.0 110.77 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.28 -44.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.846 0.314 . . . . 1.0 111.846 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.91 -42.86 99.93 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.784 -0.766 . . . . 1.0 110.526 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.33 -41.6 96.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.03 75.35 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.61 0.596 . . . . 1.0 112.61 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.2 mp -61.93 -42.94 99.68 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.397 -0.521 . . . . 1.0 111.999 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -46.14 90.33 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.912 -0.774 . . . . 1.0 108.912 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.19 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.6 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.8 m -76.61 -22.25 54.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.13 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -63.96 -51.53 52.62 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.276 -0.964 . . . . 1.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.1 mm . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.418 . . . . 1.0 109.932 179.502 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 443' ' ' TRP . . . . . 0.539 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 . . . . . 0 N--CA 1.466 0.34 0 CA-C-O 120.768 0.318 . . . . 1.0 111.816 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 444' ' ' VAL . . . . . 0.539 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.4 p -65.32 -37.32 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.39 -41.94 97.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.327 0.584 . . . . 1.0 110.349 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.15 86.35 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.599 -178.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.43 -40.53 97.42 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.163 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 48.0 mm -61.2 -43.74 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.59 -40.05 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 122.177 0.989 . . . . 1.0 110.779 -177.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.88 -43.97 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-N 115.476 -0.784 . . . . 1.0 109.456 179.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.949 -1.1 . . . . 1.0 110.606 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.02 -39.43 87.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.547 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 28.5 p -63.34 -41.67 98.89 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.185 -0.606 . . . . 1.0 111.259 -178.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.57 -43.47 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.609 . . . . 1.0 111.162 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.65 88.33 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.085 -0.961 . . . . 1.0 112.863 -177.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.09 -42.0 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.415 -0.514 . . . . 1.0 111.824 -179.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.06 -43.49 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.998 -0.681 . . . . 1.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.36 -41.46 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.529 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.39 98.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 1.0 111.749 -178.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -43.44 98.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.961 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -66.09 -43.89 85.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.35 -45.29 93.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.054 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.2 m -78.43 -20.79 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.885 0.374 . . . . 1.0 110.093 179.388 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.86 80.01 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.375 -0.917 . . . . 1.0 110.882 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 44.1 pt . . . . . 0 CA--C 1.532 0.288 0 O-C-N 122.803 -0.234 . . . . 1.0 111.2 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . 0.473 ' HA3' ' HE1' ' A' ' 434' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.076 0 N-CA-C 109.491 -1.444 . . . . 16.010000000000002 109.491 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.502 ' HB2' ' HZ2' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -100.97 -45.09 5.53 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.8 -0.815 . . . . 16.440000000000001 108.8 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 434' ' ' TRP . 0.0 OUTLIER -40.02 126.56 2.09 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.712 -0.477 . . . . 16.32 109.712 177.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 433' ' ' SER . 60.3 p -53.44 84.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.333 -0.617 . . . . 12.109999999999999 109.333 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . 0.792 ' O ' ' N ' ' A' ' 436' ' ' THR . 32.2 m95 -54.47 -39.3 67.35 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 118.981 -1.088 . . . . 12.529999999999999 109.651 -178.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 437' ' ' GLU . 2.3 t0 51.74 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.345 0.386 0 N-CA-C 106.942 -1.503 . . . . 10.18 106.942 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.792 ' N ' ' O ' ' A' ' 434' ' ' TRP . 0.1 OUTLIER -71.53 85.06 0.85 Allowed 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 104.063 -2.569 . . . . 8.7200000000000006 104.063 173.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 435' ' ' ASP . 0.3 OUTLIER -38.86 -18.74 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 123.378 1.561 . . . . 8.6300000000000008 108.879 -179.018 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' SER . . . . . 0.681 ' N ' ' O ' ' A' ' 436' ' ' THR . 3.0 p 169.07 140.39 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 103.374 -2.825 . . . . 5.7199999999999998 103.374 176.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 438' ' ' SER . 2.8 p -47.6 -14.63 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 118.859 -1.136 . . . . 6.7800000000000002 108.332 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.615 ' N ' ' C ' ' A' ' 438' ' ' SER . 0.7 OUTLIER -125.4 82.05 63.31 Favored Pre-proline 0 N--CA 1.452 -0.353 0 N-CA-C 106.806 -1.553 . . . . 6.2699999999999996 106.806 175.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -55.69 120.84 8.91 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.549 1.499 . . . . 2.8799999999999999 111.246 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 27.6 mtm -64.49 -42.35 95.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.581 . . . . 3.52 111.838 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -60.94 -37.29 81.83 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.396 -0.922 . . . . 1.8600000000000001 110.44 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.58 -44.87 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.807 -0.812 . . . . 2.29 108.807 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.37 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.33 1.062 . . . . 2.5600000000000001 110.339 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.52 94.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 113.378 -1.737 . . . . 1.3899999999999999 112.194 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.52 -39.83 94.83 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.848 0.832 . . . . 2.3999999999999999 110.683 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.1 -42.47 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.007 -1.452 . . . . 1.75 110.297 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . 0.456 ' O ' ' OG1' ' A' ' 453' ' ' THR . 80.5 t -61.34 -47.05 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.032 -0.531 . . . . 1.8799999999999999 110.8 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 47.1 mt -63.37 -42.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 110.224 -0.287 . . . . 2.3700000000000001 110.224 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -54.69 -48.58 72.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.733 -1.187 . . . . 1.6299999999999999 109.253 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 47.6 mt -68.35 -36.52 79.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.078 -0.965 . . . . 2.7400000000000002 110.416 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 449' ' ' VAL . 13.0 m -58.62 -47.63 83.72 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.155 -0.618 . . . . 1.6899999999999999 110.417 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.19 -43.13 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.971 0.891 . . . . 2.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.48 75.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 113.736 -1.575 . . . . 1.21 111.401 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.34 -43.06 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.517 -0.179 . . . . 1.55 110.517 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.23 -43.9 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.344 -0.543 . . . . 1.3500000000000001 110.615 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.63 -40.47 88.75 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.23 0.538 . . . . 1.3999999999999999 110.457 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.503 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -55.31 -46.42 76.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.258 -0.883 . . . . 1.1000000000000001 110.324 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 464' ' ' GLY . 77.8 mt -63.33 -43.2 98.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 1.73 113.253 -177.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 464' ' ' GLY . 0.0 OUTLIER -71.17 -55.46 8.1 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.423 0.898 . . . . 3.7799999999999998 113.423 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.75 -39.07 67.94 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.471 -1.307 . . . . 0.82999999999999996 107.471 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 459' ' ' ALA . 74.1 m -77.48 -22.7 50.89 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 108.205 -1.035 . . . . 1.5800000000000001 108.205 176.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 461' ' ' ARG . . . -49.1 -56.45 10.28 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 114.237 -1.347 . . . . 0.48999999999999999 110.619 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.98 -40.25 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 118.691 1.246 . . . . 2.3500000000000001 109.109 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.06 -18.35 65.3 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.115 -1.034 . . . . 2.4900000000000002 108.888 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 76.53 19.95 77.37 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 104.222 -3.551 . . . . 1.75 104.222 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.617 ' CE2' ' NH1' ' A' ' 469' ' ' ARG . 0.8 OUTLIER 49.74 -101.23 0.09 Allowed 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 111.445 -2.378 . . . . 6.0599999999999996 109.077 -178.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.617 ' NH1' ' CE2' ' A' ' 468' ' ' TYR . 9.2 mtm-85 -135.65 -125.74 0.15 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 472' ' ' ARG . 0.5 OUTLIER 148.55 23.88 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 103.65 -2.722 . . . . 7.2400000000000002 103.65 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . 0.576 ' HG2' ' HE ' ' A' ' 469' ' ' ARG . 0.0 OUTLIER -4.42 -59.2 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 112.982 -1.917 . . . . 10.67 111.252 -178.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 470' ' ' LEU . 0.1 OUTLIER -36.15 -36.57 0.09 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.573 -1.194 . . . . 12.5 109.733 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . 0.437 ' OXT' ' O ' ' A' ' 471' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.919 -1.039 . . . . 13.25 110.926 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.513 -1.435 . . . . 1.0 109.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.0 -42.53 99.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.305 . . . . 1.0 110.694 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.85 -40.56 96.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.682 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 33.0 p -155.88 160.81 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 1.0 110.658 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -62.21 -46.77 87.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.627 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -97.82 110.79 23.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.807 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.2 p -83.6 164.91 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.42 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -122.61 128.76 51.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.4 p -156.05 161.33 40.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.03 -44.72 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.597 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 4.0 tp -120.83 84.96 38.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.577 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -61.18 145.97 98.05 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.297 1.998 . . . . 1.0 112.049 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.31 -40.45 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.483 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -63.98 -35.05 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.596 -0.442 . . . . 1.0 111.175 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.23 -45.12 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.475 -0.49 . . . . 1.0 110.169 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.62 -41.79 99.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.439 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.95 97.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.999 -1.0 . . . . 1.0 112.175 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.55 -40.04 95.97 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.58 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.336 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.88 -42.75 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.425 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -43.7 98.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.961 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.23 -45.61 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 118.815 -1.154 . . . . 1.0 111.125 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 78.9 mt -66.7 -35.86 81.14 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.909 0.385 . . . . 1.0 111.403 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.3 m -64.13 -45.55 88.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.39 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 43.3 pt -69.11 -40.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 1.0 111.276 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.488 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -65.24 -45.31 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.636 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.07 -42.96 99.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.127 -0.629 . . . . 1.0 110.743 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.17 -41.92 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.84 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.05 79.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.568 0.581 . . . . 1.0 112.568 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.5 mp -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.975 -178.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.98 -44.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.823 -0.751 . . . . 1.0 109.387 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.35 -44.81 95.6 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.496 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.0 m -77.27 -22.41 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.259 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.81 -44.8 97.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.596 -1.002 . . . . 1.0 110.596 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.4 HD12 HG21 ' A' ' 465' ' ' ILE . 94.4 mt -63.32 -43.2 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.698 0.285 . . . . 1.0 110.712 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -72.46 -21.48 61.22 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.387 -0.525 . . . . 1.0 112.178 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 79.77 47.27 7.32 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.463 -0.875 . . . . 1.0 111.652 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.25 -45.22 94.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.511 -0.476 . . . . 1.0 110.159 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.46 139.41 51.62 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.334 0.588 . . . . 1.0 111.46 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.86 -40.31 96.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.694 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -59.55 -43.05 93.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.833 -0.622 . . . . 1.0 111.057 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.14 -41.78 98.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.286 -0.565 . . . . 1.0 109.936 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.365 179.304 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.63 -1.388 . . . . 1.0 109.63 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.43 144.85 50.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.909 0.385 . . . . 1.0 110.552 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -64.46 -39.34 93.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.49 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.1 p -154.48 163.17 40.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 1.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -103.19 144.8 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.687 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.26 -42.65 99.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.0 p -83.57 165.45 19.05 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.4 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -124.28 128.57 49.34 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.256 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 15.0 m -72.55 146.57 46.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.423 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 23.6 m -64.33 -42.17 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.826 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.3 tp -134.37 77.32 60.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.528 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -61.39 145.28 98.34 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.812 2.341 . . . . 1.0 112.327 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.2 -40.02 93.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.378 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -64.49 -35.85 82.27 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.153 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.32 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.182 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.52 -41.46 98.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.378 0.609 . . . . 1.0 110.823 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.25 94.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.232 -0.894 . . . . 1.0 112.246 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.22 -41.23 99.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.245 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.74 -43.42 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 1.0 110.897 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.83 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.129 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.82 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.184 -0.207 . . . . 1.0 111.032 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.49 -47.33 86.6 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.536 -0.866 . . . . 1.0 110.37 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.22 -39.23 92.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.872 0.368 . . . . 1.0 110.638 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -61.68 -45.79 92.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.631 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.01 -42.2 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.468 0.652 . . . . 1.0 111.271 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.96 97.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.232 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.54 -44.91 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.512 0.19 . . . . 1.0 111.512 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.08 -43.25 99.05 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.699 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.3 -41.33 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 1.0 111.261 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.45 98.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.166 0.508 . . . . 1.0 111.579 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.1 mt -62.07 -43.19 99.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.194 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -45.61 91.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 1.0 109.137 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.09 -44.82 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.241 -0.891 . . . . 1.0 110.578 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 467' ' ' GLY . 80.4 m -76.98 -24.19 52.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.465 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.03 -49.89 64.28 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.39 -47.13 93.3 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -75.0 -17.45 60.53 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 120.019 -0.672 . . . . 1.0 111.007 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 463' ' ' CYS . . . 78.29 19.61 73.99 Favored Glycine 0 N--CA 1.473 1.153 0 N-CA-C 110.779 -0.928 . . . . 1.0 110.779 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 64.44 119.65 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.392 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.94 -39.53 93.65 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.934 -0.307 . . . . 1.0 110.663 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.05 131.22 54.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.412 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -128.39 147.73 50.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.745 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.11 -39.72 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.483 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.585 179.743 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.629 -1.388 . . . . 1.0 109.629 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.0 -41.92 99.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 1.0 110.584 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.32 -39.69 94.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.651 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 86.2 p -75.4 157.58 33.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.665 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -111.96 144.69 40.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.55 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 436' ' ' THR . 46.3 p-10 -64.66 -35.27 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.299 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.538 ' N ' ' OD1' ' A' ' 435' ' ' ASP . 94.3 m -122.47 128.74 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.955 -0.566 . . . . 1.0 109.993 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.36 -41.61 93.67 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.572 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 14.8 m -73.96 143.09 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.655 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 22.9 m -64.89 -41.71 92.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.284 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 3.7 mt -128.58 163.87 41.94 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 115.683 -0.69 . . . . 1.0 109.666 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -59.72 145.61 97.69 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 121.215 1.277 . . . . 1.0 111.686 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.6 mtt -64.01 -40.62 96.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.557 . . . . 1.0 111.356 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -64.77 -37.0 86.12 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.444 -0.502 . . . . 1.0 111.025 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.42 -45.07 98.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 1.0 110.042 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.56 -41.93 99.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.605 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.67 95.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.224 -0.898 . . . . 1.0 112.468 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.78 -41.46 99.26 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.382 -0.826 . . . . 1.0 111.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 33.1 mm -62.19 -43.56 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.084 0.469 . . . . 1.0 110.008 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -44.2 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.917 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.7 -43.31 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.735 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -60.5 -46.28 90.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 119.016 -1.073 . . . . 1.0 110.598 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.2 tp -66.09 -40.71 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.042 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -63.2 -47.35 82.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.8 tt -69.65 -40.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.451 . . . . 1.0 111.637 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.87 99.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.481 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.08 -44.87 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.465 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.03 -42.98 99.89 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.446 -0.502 . . . . 1.0 111.033 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.449 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.382 0.61 . . . . 1.0 111.716 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.36 -43.66 98.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.178 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -67.23 -44.16 80.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.16 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.15 94.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.825 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.2 -20.04 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.177 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.249 -0.977 . . . . 1.0 110.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.1 mm -63.92 -43.84 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.683 0.278 . . . . 1.0 110.783 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -71.34 -20.34 62.18 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.346 -0.542 . . . . 1.0 111.354 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 84.83 24.55 44.98 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.691 -0.766 . . . . 1.0 112.753 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -97.9 7.92 45.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.975 0.416 . . . . 1.0 110.387 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -61.18 -42.9 99.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.988 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 90.1 mt -105.37 133.67 49.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.462 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.9 -38.47 91.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.921 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.73 -43.36 98.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.618 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.051 -0.975 . . . . 1.0 110.454 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.532 -1.427 . . . . 1.0 109.532 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.71 144.22 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 1.0 110.426 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -68.81 132.65 47.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 86.9 p -77.4 162.13 27.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.49 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -109.65 137.85 46.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.351 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -69.7 140.37 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.759 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 25.5 m -66.1 134.33 52.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.183 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -89.92 111.05 21.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.412 . . . . 1.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.6 t -62.23 -42.95 99.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.95 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.19 -42.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.264 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 3.3 mp -127.89 80.29 72.32 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-O 121.01 0.434 . . . . 1.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.45 147.24 95.19 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.698 2.265 . . . . 1.0 111.652 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.11 -40.35 96.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.377 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -64.49 -35.09 79.81 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.747 -0.381 . . . . 1.0 111.172 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.34 -44.06 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.029 0.442 . . . . 1.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -41.49 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.5 0.667 . . . . 1.0 110.493 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.67 96.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.025 -0.989 . . . . 1.0 111.914 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.97 -39.78 95.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.24 -41.79 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.82 -44.59 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.114 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.73 -43.49 98.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 121.238 -0.185 . . . . 1.0 111.088 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -60.21 -45.68 92.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 119.136 -1.025 . . . . 1.0 110.49 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.9 tp -66.35 -39.64 89.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.17 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -62.9 -46.94 85.45 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 9.0 tt -68.96 -39.73 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.997 0.427 . . . . 1.0 111.548 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.226 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.6 t -65.02 -45.28 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.642 -0.253 . . . . 1.0 111.33 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.3 -43.28 98.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.356 -0.537 . . . . 1.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.21 -41.18 97.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.335 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.82 98.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 1.0 111.498 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.8 mt -61.87 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.993 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.86 90.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.901 -0.778 . . . . 1.0 108.901 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.64 -44.98 95.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.689 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.58 -22.29 51.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.046 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.76 -50.02 67.73 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.321 -0.942 . . . . 1.0 111.158 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.69 -43.75 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 1.0 110.442 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -73.17 -21.27 60.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 80.91 21.23 63.72 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.912 -0.661 . . . . 1.0 111.452 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.548 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 80.7 t80 44.65 29.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.969 0.414 . . . . 1.0 110.195 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.25 -39.94 96.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.536 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.68 140.52 46.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.423 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -129.41 146.98 51.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.701 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -61.63 -43.28 99.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.345 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.523 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.69 -1.364 . . . . 1.0 109.69 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.99 -42.05 99.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 1.0 110.56 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -64.12 -40.19 95.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.3 t -61.12 -44.13 97.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -59.97 -41.53 92.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.617 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -63.05 -40.93 99.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.112 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.6 p -83.02 165.98 19.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.749 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -131.65 144.12 50.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.563 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.6 p -75.75 161.02 29.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.727 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.43 -44.87 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.379 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 6.5 mt -87.46 113.58 54.76 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.489 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . 0.407 ' CB ' ' NE1' ' A' ' 443' ' ' TRP . 21.1 Cg_exo -59.79 145.33 98.5 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 121.262 1.308 . . . . 1.0 111.757 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.26 -39.99 93.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.848 -0.615 . . . . 1.0 112.438 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.407 ' NE1' ' CB ' ' A' ' 441' ' ' PRO . 68.6 p-90 -60.57 -48.99 79.35 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.79 0.663 . . . . 1.0 112.79 -177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.94 -38.31 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 1.0 110.361 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.57 -43.15 99.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.566 0.698 . . . . 1.0 110.21 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.61 94.71 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.948 -1.024 . . . . 1.0 112.151 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.43 -42.46 99.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.173 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.01 -41.66 91.89 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 CA-C-O 122.308 1.052 . . . . 1.0 110.093 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.42 -47.36 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 114.853 -1.067 . . . . 1.0 112.357 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 40.2 pt -62.75 -39.07 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.688 -0.632 . . . . 1.0 111.623 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.64 -46.02 91.89 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 118.547 -1.261 . . . . 1.0 110.432 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.56 -39.94 92.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 1.0 111.052 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 87.9 m -61.96 -45.55 93.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.681 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.72 -43.45 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.327 0.584 . . . . 1.0 111.246 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.95 98.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.081 -0.963 . . . . 1.0 111.508 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.14 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 121.078 -0.249 . . . . 1.0 111.328 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.38 -43.18 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.25 -41.33 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.323 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.01 98.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.181 0.515 . . . . 1.0 111.543 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.004 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.83 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.78 -45.05 95.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.737 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.56 -23.19 50.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.873 0.368 . . . . 1.0 110.103 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.16 -49.46 74.67 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.317 -0.944 . . . . 1.0 111.154 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.75 -43.57 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.736 0.303 . . . . 1.0 110.204 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -73.81 -20.94 60.31 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.623 -0.431 . . . . 1.0 111.288 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 469' ' ' ARG . . . 79.65 20.25 69.06 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.32 -0.712 . . . . 1.0 111.32 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 88.8 t80 46.47 -85.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.505 0.193 . . . . 1.0 110.972 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.605 HH22 ' CA ' ' A' ' 473' ' ' LYS . 78.1 ttt-85 -117.9 116.87 27.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.833 0.349 . . . . 1.0 110.113 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 96.5 mt -100.71 -1.36 35.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.137 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . 0.521 ' O ' ' NH1' ' A' ' 469' ' ' ARG . 85.9 mtp180 -75.14 140.26 43.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 1.0 110.901 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -63.79 -43.04 97.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.457 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . 0.605 ' CA ' HH22 ' A' ' 469' ' ' ARG . 88.7 tttt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.443 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.511 -1.436 . . . . 1.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 434' ' ' TRP . 98.9 mttt -62.6 -42.1 99.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.698 0.285 . . . . 1.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.86 -39.7 93.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.388 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 434' ' ' TRP . 78.2 p -67.5 -19.96 65.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 431' ' ' LYS . 96.8 m95 33.54 96.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.438 0.461 . . . . 1.0 111.098 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -95.06 111.39 23.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.462 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 18.8 m -62.32 -45.72 91.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.373 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.0 139.06 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.128 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.4 p -75.16 160.04 30.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.59 -44.91 98.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.75 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.77 83.12 54.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.558 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . 0.425 ' CB ' ' NE1' ' A' ' 443' ' ' TRP . 22.9 Cg_exo -60.57 144.85 99.57 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.434 2.089 . . . . 1.0 111.985 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.0 mtt -67.37 -38.77 85.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.039 -0.528 . . . . 1.0 112.206 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.513 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 69.3 p-90 -61.76 -48.92 78.5 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.82 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.1 p -65.88 -38.1 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.33 -42.37 99.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.41 96.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.386 0.612 . . . . 1.0 111.441 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.38 -40.36 97.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.462 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.48 -43.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.505 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.1 t -61.64 -44.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.997 0.427 . . . . 1.0 110.573 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.1 mm -62.3 -42.57 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 119.073 -0.489 . . . . 1.0 111.636 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.65 -44.15 96.75 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.145 0.974 . . . . 1.0 109.764 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.11 -34.2 77.52 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.052 -1.431 . . . . 1.0 109.37 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 85.5 m -62.17 -42.14 98.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.326 1.06 . . . . 1.0 109.201 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.81 -43.1 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.446 -1.252 . . . . 1.0 109.97 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.66 75.88 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.164 0.507 . . . . 1.0 109.797 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.14 -43.59 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 1.0 110.765 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.22 -41.39 96.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.06 -40.21 97.02 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.099 -0.704 . . . . 1.0 109.099 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.84 77.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.771 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 9.4 mp -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.407 0.622 . . . . 1.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -44.98 89.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.285 -0.87 . . . . 1.0 108.879 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.03 -44.51 94.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.507 0.67 . . . . 1.0 109.585 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.9 m -69.93 -19.52 63.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 1.0 108.787 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -59.54 -34.48 81.59 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.788 -1.725 . . . . 1.0 108.788 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 32.2 mm -64.56 -43.05 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -69.47 -19.5 63.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.729 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 469' ' ' ARG . . . 89.37 10.78 65.34 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.315 -1.114 . . . . 1.0 110.315 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 87.1 t80 44.65 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.84 -0.18 . . . . 1.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.556 ' N ' ' O ' ' A' ' 467' ' ' GLY . 78.1 ttt-85 -124.65 131.05 53.49 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.722 0.296 . . . . 1.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -111.45 130.77 55.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.352 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -64.39 -39.77 94.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.522 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -102.8 136.98 41.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.49 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.938 -1.029 . . . . 1.0 110.564 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.564 -1.414 . . . . 1.0 109.564 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -107.42 146.45 31.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.957 -0.386 . . . . 1.0 109.957 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -75.11 146.29 41.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.581 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.9 p -75.25 161.85 28.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.461 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -108.98 143.0 38.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.744 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -90.6 113.68 25.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.518 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 46.3 p -65.46 -33.73 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.673 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -111.33 119.98 40.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.156 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' SER . . . . . 0.52 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 14.9 m -72.71 142.74 48.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 24.7 m -65.41 -41.35 90.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.928 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.55 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 5.8 mp -53.84 145.58 31.23 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.197 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.98 -0.28 10.22 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.615 2.21 . . . . 1.0 112.314 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -62.63 -41.31 98.94 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.371 0.508 . . . . 1.0 112.371 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.55 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 68.1 p-90 -65.53 -33.89 76.97 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.014 -0.674 . . . . 1.0 110.463 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.99 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 1.0 109.917 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.43 -40.6 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.32 -0.854 . . . . 1.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.96 98.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.784 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 9.3 mp -62.59 -40.85 98.22 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.862 0.363 . . . . 1.0 110.458 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.09 -43.05 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.055 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.98 -43.31 92.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.304 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 33.8 mm -63.43 -43.37 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.459 -0.496 . . . . 1.0 111.212 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -60.59 -45.67 93.12 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.976 -1.09 . . . . 1.0 110.559 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.82 -39.58 90.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.86 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 90.0 m -61.87 -45.55 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.586 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.55 -43.4 96.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.358 0.599 . . . . 1.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.19 99.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.742 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.11 -45.23 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.551 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.05 -42.96 99.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.101 -0.64 . . . . 1.0 110.771 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.22 -41.84 96.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.04 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.243 0.544 . . . . 1.0 112.37 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.85 -43.64 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.866 -0.607 . . . . 1.0 111.449 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.96 -44.52 80.35 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.156 -0.617 . . . . 1.0 110.144 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.56 92.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.872 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -18.51 51.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.233 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.26 -44.04 97.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.72 -43.09 97.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.708 0.289 . . . . 1.0 110.566 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -71.17 -21.2 62.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.499 -0.481 . . . . 1.0 111.871 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.66 34.05 23.25 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.42 -0.895 . . . . 1.0 111.799 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -59.43 -45.98 90.04 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.401 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -64.08 -39.56 94.34 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.429 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.55 -42.86 99.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.33 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -62.02 -43.22 99.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.247 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -61.85 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.248 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.997 -1.001 . . . . 1.0 110.527 -179.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.14 -44.88 95.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 1.0 110.396 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 435' ' ' ASP . 84.0 mtt85 -64.22 -39.96 95.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.461 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 61.5 m -60.34 -42.66 96.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.809 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -60.76 -42.78 98.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.476 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 432' ' ' ARG . 54.1 t0 -96.42 112.6 24.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.504 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 98.3 m -117.23 125.9 51.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.945 0.403 . . . . 1.0 110.603 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -174.29 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.794 -0.639 . . . . 1.0 109.364 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 49.2 m -60.56 -39.01 86.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.594 -0.73 . . . . 1.0 111.163 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.48 -43.88 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.55 -179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.6 tp -141.78 70.52 24.79 Favored Pre-proline 0 N--CA 1.463 0.219 0 C-N-CA 120.754 -0.378 . . . . 1.0 111.422 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -62.83 144.93 94.46 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.787 2.324 . . . . 1.0 111.891 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.4 mtp -64.8 -40.73 95.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.502 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -61.75 -31.96 72.18 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.896 -0.322 . . . . 1.0 111.133 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.79 -43.45 97.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.258 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.216 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.61 97.35 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.446 0.641 . . . . 1.0 112.029 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.45 -39.19 93.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.354 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.96 -42.85 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.053 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . 0.413 ' O ' ' OG1' ' A' ' 453' ' ' THR . 67.0 t -63.87 -41.41 92.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.123 0.487 . . . . 1.0 110.704 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.44 -44.83 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.351 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -57.58 -44.9 85.67 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 118.317 -1.353 . . . . 1.0 109.703 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.37 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.447 -1.251 . . . . 1.0 110.3 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 449' ' ' VAL . 16.6 m -61.32 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.74 0.781 . . . . 1.0 110.175 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.4 -40.76 89.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 108.493 -0.928 . . . . 1.0 108.493 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -41.51 75.04 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.881 -0.728 . . . . 1.0 109.89 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.62 -43.35 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.343 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.25 -42.45 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.194 -0.602 . . . . 1.0 109.91 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.46 -40.86 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.287 0.565 . . . . 1.0 109.701 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.34 -39.59 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.256 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -40.9 98.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.705 -0.679 . . . . 1.0 110.984 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -43.92 87.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.543 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.3 -44.28 95.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.445 0.64 . . . . 1.0 109.369 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.1 -19.13 64.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.89 -1.05 . . . . 1.0 108.583 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.58 80.57 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.784 -1.726 . . . . 1.0 108.784 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.55 -42.79 96.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.26 0.553 . . . . 1.0 109.71 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -69.1 -19.15 64.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.361 -0.836 . . . . 1.0 111.082 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 89.09 20.14 47.49 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.198 -1.161 . . . . 1.0 110.198 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 57.41 106.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 1.0 110.501 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.47 -39.5 93.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.481 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.34 141.89 45.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -140.41 153.85 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.623 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -128.93 145.78 51.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.505 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.063 -0.97 . . . . 1.0 110.598 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.57 -1.412 . . . . 1.0 109.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.63 144.04 51.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.79 0.329 . . . . 1.0 110.513 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . 0.45 ' O ' ' OD1' ' A' ' 435' ' ' ASP . 85.5 mtp180 -81.14 142.33 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.657 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 436' ' ' THR . 38.8 t -62.17 -41.34 98.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.908 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -49.07 -27.77 3.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 1.0 112.59 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 436' ' ' THR . 53.6 p-10 -62.47 -34.29 76.54 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.987 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.568 ' N ' ' OD1' ' A' ' 435' ' ' ASP . 64.8 p -132.16 158.26 42.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 1.0 110.543 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -113.14 122.32 47.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 41.8 t -70.48 145.82 50.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.465 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.4 -42.2 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.344 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.6 mp -110.36 169.87 5.9 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.63 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -59.57 143.16 99.74 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.417 1.412 . . . . 1.0 111.696 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 77.5 mtm -67.42 -38.6 84.85 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.609 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 -63.73 -44.93 92.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.491 0.552 . . . . 1.0 112.491 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . 0.423 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.2 p -65.64 -38.55 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.558 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.12 -43.04 99.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.667 0.746 . . . . 1.0 109.43 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.7 98.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.988 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.17 -41.17 98.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.516 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.37 -42.76 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 1.0 110.575 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.73 -43.7 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.445 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.88 -43.61 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.302 -0.159 . . . . 1.0 110.73 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -60.94 -46.66 89.79 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.139 -1.024 . . . . 1.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.13 -40.48 94.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.443 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 51.4 p -62.86 -42.4 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.819 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.24 -43.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.63 -47.51 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.205 -0.907 . . . . 1.0 112.647 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.46 -41.5 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.334 -0.546 . . . . 1.0 111.744 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.0 -43.26 99.27 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.534 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.28 -40.91 96.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.211 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.65 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.354 0.597 . . . . 1.0 111.329 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.113 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -44.35 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.13 -0.628 . . . . 1.0 109.665 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.825 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.26 -26.12 58.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.285 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.91 -52.64 40.15 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 119.929 -1.129 . . . . 1.0 111.605 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.01 -44.67 97.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 O-C-N 122.718 -0.284 . . . . 1.0 110.868 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -73.94 -21.3 60.08 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.448 -0.501 . . . . 1.0 111.486 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 77.87 16.6 79.76 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.041 -0.824 . . . . 1.0 111.041 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.53 -46.97 88.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.965 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.38 -43.13 99.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 1.0 110.353 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.71 -41.72 99.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.772 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -75.52 143.59 42.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.639 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -86.83 141.15 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.59 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.924 -1.036 . . . . 1.0 110.6 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 109.585 -1.406 . . . . 1.0 109.585 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -127.08 145.51 50.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.84 0.352 . . . . 1.0 110.494 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.48 -39.67 94.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.553 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 97.5 p -157.73 162.36 38.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.567 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.34 -41.14 88.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 435' ' ' ASP . 44.9 p-10 -97.52 109.1 21.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.713 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.8 m -123.26 128.39 49.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.52 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -66.63 136.84 56.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.28 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.0 p -75.85 160.29 30.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.645 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.47 -45.06 98.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.699 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.8 tp -140.79 81.95 16.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.914 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . 0.451 ' CB ' ' NE1' ' A' ' 443' ' ' TRP . 22.2 Cg_exo -60.58 145.05 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.405 2.07 . . . . 1.0 111.883 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 78.0 mtm -65.18 -38.05 89.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.025 -0.534 . . . . 1.0 112.042 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.451 ' NE1' ' CB ' ' A' ' 441' ' ' PRO . 68.6 p-90 -59.06 -29.46 67.33 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.736 0.643 . . . . 1.0 112.736 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 445' ' ' LEU . 2.0 m -63.76 -40.21 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 119.68 -0.808 . . . . 1.0 109.951 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 444' ' ' VAL . 54.2 tp -62.75 -41.93 99.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.429 0.633 . . . . 1.0 110.757 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.36 92.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.181 -0.918 . . . . 1.0 112.045 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.24 -41.26 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.107 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 448' ' ' ILE . 93.7 mt -62.69 -42.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.737 -178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.37 -44.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.359 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.93 -43.65 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 121.231 -0.188 . . . . 1.0 110.985 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.76 -46.42 90.54 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 118.632 -1.227 . . . . 1.0 110.322 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.89 -39.69 93.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 86.9 m -61.98 -45.71 92.46 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.421 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.25 -40.73 87.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 122.247 1.023 . . . . 1.0 110.575 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.43 96.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.539 -1.21 . . . . 1.0 110.443 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.33 -44.67 97.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.483 -0.487 . . . . 1.0 111.403 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.771 -0.772 . . . . 1.0 111.024 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.26 -40.76 96.66 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.784 -0.643 . . . . 1.0 111.24 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.89 -42.64 98.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.298 0.57 . . . . 1.0 111.548 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.1 mt -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.9 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -46.97 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.127 0.489 . . . . 1.0 109.796 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -62.21 -45.5 93.09 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.258 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -19.55 49.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.888 0.375 . . . . 1.0 110.089 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.74 -50.19 59.9 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.479 -0.867 . . . . 1.0 111.524 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 466' ' ' TYR . 20.4 tt -66.94 -41.4 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.926 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.401 ' N ' ' CG2' ' A' ' 465' ' ' ILE . 30.1 m-85 -76.22 -21.29 56.58 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.251 -0.58 . . . . 1.0 111.315 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 78.82 12.17 84.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 469' ' ' ARG . 91.4 t80 -72.43 132.27 43.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.723 0.297 . . . . 1.0 111.06 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.659 HH12 ' NH1' ' A' ' 471' ' ' ARG . 77.9 ttt-85 35.64 79.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.817 -0.628 . . . . 1.0 111.018 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 40.0 tp -112.99 125.9 54.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.397 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . 0.659 ' NH1' HH12 ' A' ' 469' ' ' ARG . 91.0 mtm-85 -86.4 141.41 29.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.495 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.31 145.84 51.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.605 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.508 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.754 -1.338 . . . . 1.0 109.754 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.08 139.01 54.79 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.128 -0.323 . . . . 1.0 110.128 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.14 -43.11 95.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.004 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.8 p -73.73 160.54 31.38 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.538 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -102.21 146.73 27.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.919 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -63.11 -38.8 92.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 70.8 p -134.23 156.52 48.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.488 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.62 -41.03 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.796 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 46.5 t -156.49 153.81 29.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.559 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.4 -44.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.952 0.406 . . . . 1.0 110.065 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.5 mt -130.07 78.38 74.87 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.414 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . 0.446 ' CB ' ' NE1' ' A' ' 443' ' ' TRP . 21.6 Cg_exo -61.42 145.42 98.12 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.667 2.245 . . . . 1.0 112.64 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 65.6 ttp -67.26 -38.76 85.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.788 -0.642 . . . . 1.0 112.108 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.446 ' NE1' ' CB ' ' A' ' 441' ' ' PRO . 67.3 p-90 -59.64 -39.76 85.44 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . 0.42 ' N ' ' CE3' ' A' ' 443' ' ' TRP . 15.0 p -63.9 -37.73 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.561 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.16 -40.92 98.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 1.0 110.06 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.85 85.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.61 -1.177 . . . . 1.0 112.152 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.03 -37.08 84.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.643 0.735 . . . . 1.0 110.688 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.01 -43.11 96.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.502 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.03 -44.81 95.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.619 -1.173 . . . . 1.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 32.3 mm -62.83 -43.62 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 O-C-N 121.955 -0.466 . . . . 1.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.73 -45.61 91.66 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.739 -1.185 . . . . 1.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.75 -39.62 91.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.415 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -61.77 -45.93 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.056 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 30.7 mm -64.66 -43.61 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.228 0.537 . . . . 1.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.217 -0.901 . . . . 1.0 111.629 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.36 -45.22 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.046 -0.262 . . . . 1.0 111.287 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.02 98.75 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.2 -41.47 97.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.701 . . . . 1.0 111.397 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.97 98.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.245 0.545 . . . . 1.0 111.665 -178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.04 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.119 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -65.21 -43.81 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.486 -0.486 . . . . 1.0 109.755 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.01 -45.14 94.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.785 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.48 -21.66 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.84 59.73 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.279 -0.962 . . . . 1.0 110.719 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.423 ' O ' ' OXT' ' A' ' 473' ' ' LYS . 94.8 mt -63.4 -43.35 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 1.0 110.286 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.445 ' O ' ' O ' ' A' ' 472' ' ' ARG . 24.1 m-85 -71.61 -20.91 61.92 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.378 -0.529 . . . . 1.0 111.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 83.19 23.96 53.25 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.517 -0.849 . . . . 1.0 111.699 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 471' ' ' ARG . 86.4 m-85 56.81 177.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.168 0.509 . . . . 1.0 110.946 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -60.79 -32.86 72.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.46 -40.75 95.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.311 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 468' ' ' TYR . 80.7 mtp85 -124.53 139.77 53.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.056 0.455 . . . . 1.0 111.03 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 466' ' ' TYR . 41.8 ttm180 -63.21 -42.79 99.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.637 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . 0.423 ' OXT' ' O ' ' A' ' 465' ' ' ILE . 64.1 mttp . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.047 -0.978 . . . . 1.0 110.513 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.557 -1.417 . . . . 1.0 109.557 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -127.04 144.83 50.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.789 0.328 . . . . 1.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -63.94 -40.0 95.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.534 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.0 t -138.3 145.25 41.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.515 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -60.57 -39.4 87.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.517 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -95.8 109.71 21.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.411 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.6 m -65.07 131.83 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.31 137.1 55.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.408 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 86.3 p -75.22 158.27 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.556 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.73 -44.88 98.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.622 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 38.3 tp -128.41 82.16 69.14 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.479 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.46 -33.66 78.48 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.77 2.313 . . . . 1.0 112.207 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.4 mtt -61.41 -5.37 1.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.835 -0.621 . . . . 1.0 111.656 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 444' ' ' VAL . 31.0 p-90 -55.92 -41.51 74.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.363 -0.535 . . . . 1.0 109.876 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . 0.568 ' N ' ' CG ' ' A' ' 443' ' ' TRP . 12.3 p -63.53 -38.07 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.531 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.69 -40.3 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.496 0.665 . . . . 1.0 110.738 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.23 99.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.968 -1.015 . . . . 1.0 112.402 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.58 -40.5 97.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.713 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 448' ' ' ILE . 93.8 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 -177.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.8 m -64.63 -37.14 79.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.652 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 35.2 mm -64.87 -44.6 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 120.144 -0.622 . . . . 1.0 110.169 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -56.55 -46.11 80.86 Favored 'General case' 0 C--O 1.246 0.876 0 C-N-CA 118.933 -1.107 . . . . 1.0 111.007 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -35.64 80.94 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.96 0.41 . . . . 1.0 111.46 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.8 m -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.449 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.13 -43.32 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.667 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.27 99.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 1.0 111.575 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.95 -45.12 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.07 -43.17 99.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.77 -40.3 95.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.235 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.459 0.647 . . . . 1.0 111.342 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.4 mt -61.93 -43.63 98.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 1.0 110.964 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -66.86 -44.4 81.05 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.037 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -62.55 -45.41 93.08 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.782 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 467' ' ' GLY . 0.7 OUTLIER -79.54 -17.99 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.983 0.421 . . . . 1.0 109.934 179.053 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.61 -50.63 57.93 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 120.653 -0.784 . . . . 1.0 111.464 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 466' ' ' TYR . 20.5 tt -67.13 -41.41 86.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.474 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.412 ' N ' ' CG2' ' A' ' 465' ' ' ILE . 31.4 m-85 -76.76 -20.72 56.16 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.476 -0.49 . . . . 1.0 110.953 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 80.94 15.83 76.44 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.443 ' O ' ' O ' ' A' ' 467' ' ' GLY . 90.7 t80 56.39 120.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.034 0.445 . . . . 1.0 111.045 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -75.12 144.88 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.477 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.41 141.4 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.574 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -64.38 -39.8 94.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.477 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.54 -39.74 94.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.431 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.462 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . 0.403 ' H3 ' ' H ' ' A' ' 431' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.543 -1.423 . . . . 1.0 109.543 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.403 ' H ' ' H3 ' ' A' ' 430' ' ' GLY . 88.8 tttt -62.26 -44.37 96.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.694 0.283 . . . . 1.0 110.528 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -75.01 144.32 43.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.762 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 434' ' ' TRP . 78.1 p -62.35 -34.72 77.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.505 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . 0.408 ' N ' ' HG ' ' A' ' 433' ' ' SER . 50.3 m95 -111.42 146.17 37.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.625 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -89.37 112.41 23.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.812 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 57.9 p -110.04 3.93 20.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.332 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.53 -36.87 85.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.909 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 41.4 t -63.59 141.25 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 1.0 110.469 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 29.9 m -63.93 -42.38 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.989 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 4.6 mt -105.65 149.76 38.29 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.546 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . 0.489 ' C ' ' H ' ' A' ' 443' ' ' TRP . 38.3 Cg_endo -67.97 -16.54 45.45 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.798 2.332 . . . . 1.0 112.292 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.2 mtt -50.72 -5.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 1.0 112.5 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.489 ' H ' ' C ' ' A' ' 441' ' ' PRO . 64.8 p-90 -59.74 -37.75 79.82 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.957 -0.697 . . . . 1.0 109.819 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . 0.437 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 7.8 p -65.34 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.804 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.08 -41.76 98.52 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.44 0.638 . . . . 1.0 110.534 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.74 88.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 114.752 -1.113 . . . . 1.0 112.012 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.04 -41.41 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.184 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.99 -40.09 86.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.286 0 CA-C-O 122.489 1.138 . . . . 1.0 109.507 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.15 -43.56 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.047 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 39.6 mm -63.51 -44.54 98.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.542 -0.463 . . . . 1.0 109.882 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -58.77 -47.28 85.24 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.061 -1.056 . . . . 1.0 110.351 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.8 mt -64.83 -40.24 94.87 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.106 0.479 . . . . 1.0 110.815 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.8 m -61.63 -44.9 96.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.996 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.67 -44.83 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 122.084 0.945 . . . . 1.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.15 90.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.709 -1.132 . . . . 1.0 111.678 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.13 -45.44 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.46 -43.49 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.425 -0.51 . . . . 1.0 110.991 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.6 -41.55 96.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 1.0 111.419 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.14 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 1.0 111.791 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.71 -43.5 98.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.208 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -65.49 -43.99 88.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.698 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.76 -45.41 94.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.421 -0.808 . . . . 1.0 110.62 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.84 -19.93 54.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.69 -44.01 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.72 -43.64 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.388 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -76.46 -20.31 57.15 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.26 -0.576 . . . . 1.0 111.3 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.28 17.88 68.13 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.197 -0.525 . . . . 1.0 112.187 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -108.87 44.64 1.11 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.862 0.363 . . . . 1.0 110.878 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.18 -39.58 94.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.35 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.28 142.13 45.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.625 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.76 137.5 39.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.493 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -64.28 -39.41 93.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.53 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.953 -1.022 . . . . 1.0 110.558 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.0 -41.94 99.72 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -68.02 134.4 50.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.458 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.6 p -75.84 161.16 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.608 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -112.44 145.55 39.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.583 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -93.82 112.36 24.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.1 p -82.32 166.13 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.622 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -66.25 -38.71 88.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.184 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 31.9 p -153.49 162.62 41.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.695 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 24.7 m -63.95 -42.24 95.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.799 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.54 148.41 44.12 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.525 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.49 122.27 8.14 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.108 1.872 . . . . 1.0 112.457 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 74.2 mtm -65.69 -39.21 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.705 -0.68 . . . . 1.0 111.673 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -60.25 -33.54 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.286 0.476 . . . . 1.0 112.286 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.9 -44.69 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.474 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.14 -40.76 98.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.628 0.727 . . . . 1.0 110.691 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.75 98.43 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.803 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.5 -40.86 98.07 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.925 -178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.56 -43.26 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.402 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.01 -42.08 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.75 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.093 -0.379 . . . . 1.0 110.752 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -59.71 -45.8 91.06 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 118.854 -1.138 . . . . 1.0 110.814 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.3 -37.98 86.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 1.0 111.417 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -63.82 -46.93 82.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.74 -0.664 . . . . 1.0 112.117 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 455' ' ' ALA . 6.4 tp -68.67 -39.87 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.051 0.453 . . . . 1.0 111.17 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 454' ' ' ILE . . . -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.48 -0.782 . . . . 1.0 111.339 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.09 -45.45 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.016 -0.274 . . . . 1.0 111.425 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.33 -43.35 97.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.49 -41.28 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 1.0 111.292 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.16 99.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.257 0.551 . . . . 1.0 111.619 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.188 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.06 -44.18 89.84 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.374 -0.531 . . . . 1.0 109.695 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.05 -44.81 94.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.569 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 467' ' ' GLY . 82.2 m -76.35 -22.56 54.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.849 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.82 78.29 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.325 -0.94 . . . . 1.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.62 -43.74 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.714 0.293 . . . . 1.0 110.463 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -76.0 -20.38 57.9 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.517 ' C ' ' H ' ' A' ' 469' ' ' ARG . . . 80.75 20.06 66.65 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.234 -0.746 . . . . 1.0 111.234 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 87.7 t80 51.3 8.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.298 . . . . 1.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.517 ' H ' ' C ' ' A' ' 467' ' ' GLY . 85.2 mtp180 -128.17 146.45 50.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.408 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.04 131.85 54.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.585 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -101.18 137.76 39.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.465 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -74.11 144.24 45.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.531 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.933 -1.032 . . . . 1.0 110.533 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.07 -44.88 95.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 1.0 110.536 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -102.06 135.68 43.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 434' ' ' TRP . 16.1 m -72.85 146.96 45.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.489 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 434' ' ' TRP . 30.6 m0 57.95 127.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.697 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -90.74 111.27 22.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.453 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 47.2 p -66.25 -33.64 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.695 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -121.26 139.96 52.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.495 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.9 p -154.59 162.34 41.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.36 -42.14 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.733 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.4 tp -129.7 79.28 73.83 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.892 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -61.07 146.78 97.24 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.463 2.108 . . . . 1.0 111.851 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 77.8 mtm -66.55 -36.48 82.77 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.737 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -63.16 -36.45 83.66 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 112.756 0.65 . . . . 1.0 112.756 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 18.1 m -65.2 -38.51 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 119.309 -0.956 . . . . 1.0 110.441 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -42.74 99.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.657 0.741 . . . . 1.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.85 97.69 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.843 -1.071 . . . . 1.0 112.097 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.92 -40.58 95.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.91 -42.02 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.585 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . 0.435 ' O ' ' OG1' ' A' ' 453' ' ' THR . 68.6 t -61.41 -44.22 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.865 -178.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 43.5 mm -63.01 -43.77 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 122.085 -0.385 . . . . 1.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -59.3 -46.51 88.38 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 118.912 -1.115 . . . . 1.0 110.257 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.691 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 449' ' ' VAL . 23.5 m -62.28 -45.71 92.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.028 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.58 -43.55 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.259 0.552 . . . . 1.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.82 99.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.629 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.93 -45.31 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.75 -0.204 . . . . 1.0 111.46 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.34 -43.34 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.43 -41.36 96.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.674 -0.694 . . . . 1.0 111.493 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.71 99.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.174 0.511 . . . . 1.0 111.646 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.0 mt -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.648 -0.706 . . . . 1.0 110.999 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -46.85 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.395 0.617 . . . . 1.0 109.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.79 -45.66 92.91 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.47 -0.786 . . . . 1.0 111.234 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -18.68 49.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.011 0.434 . . . . 1.0 110.165 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.78 -46.33 93.87 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.603 -0.808 . . . . 1.0 111.217 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.4 tt -66.53 -39.51 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.475 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -73.53 -20.85 60.55 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.13 -0.628 . . . . 1.0 111.522 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.93 24.74 51.85 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.809 -0.71 . . . . 1.0 112.356 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -101.1 9.95 41.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.707 0.289 . . . . 1.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 54.2 ptt85 -63.33 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . 0.43 ' CD2' ' O ' ' A' ' 472' ' ' ARG . 39.4 tp -111.85 127.23 55.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.234 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.61 -43.45 98.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.368 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.43 ' O ' ' CD2' ' A' ' 470' ' ' LEU . 76.6 ttt180 -124.88 131.72 53.4 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.902 0.382 . . . . 1.0 110.807 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.607 179.728 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 433' ' ' SER . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.443 -1.463 . . . . 1.0 109.443 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.42 -42.02 98.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.835 0.35 . . . . 1.0 110.726 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.63 -40.12 94.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.704 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 430' ' ' GLY . 31.0 t -117.01 131.29 56.99 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.961 0.41 . . . . 1.0 111.108 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -59.95 -38.56 82.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.61 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.79 108.02 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.477 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.9 p -84.93 165.68 17.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.791 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.523 ' OE2' ' CZ2' ' A' ' 443' ' ' TRP . 83.3 tt0 -69.49 -33.58 73.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.794 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 60.1 m -58.97 -40.23 84.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.597 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 22.9 m -62.26 -23.19 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.644 -0.422 . . . . 1.0 111.242 -178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 6.2 mt -114.23 83.87 8.69 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.551 -0.295 . . . . 1.0 111.115 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.61 10.23 3.78 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 123.077 2.518 . . . . 1.0 112.105 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.6 mtt -63.18 -40.43 97.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.274 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.523 ' CZ2' ' OE2' ' A' ' 437' ' ' GLU . 68.0 p-90 -63.81 -34.84 78.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.311 -0.556 . . . . 1.0 110.082 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 76.8 t -63.0 -44.84 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 121.198 0.523 . . . . 1.0 109.952 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 1.0 111.08 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.53 97.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.663 . . . . 1.0 111.424 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.83 -41.01 97.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.92 -43.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.149 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.5 m -64.57 -38.32 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.232 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.2 -43.34 98.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 119.316 -0.373 . . . . 1.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -59.42 -45.64 90.97 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 119.151 -1.019 . . . . 1.0 110.096 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.05 -36.07 83.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.352 -1.295 . . . . 1.0 110.504 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.1 m -60.74 -44.59 96.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.339 0.59 . . . . 1.0 109.432 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.85 -40.43 87.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 CA-C-O 121.953 0.882 . . . . 1.0 109.413 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.9 83.27 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 118.31 -1.356 . . . . 1.0 109.742 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.97 -41.72 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.509 -0.769 . . . . 1.0 109.622 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.36 -42.13 99.16 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.076 -0.649 . . . . 1.0 109.567 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -40.95 98.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.791 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.78 79.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.159 -0.928 . . . . 1.0 110.325 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.36 -40.74 97.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -59.09 -43.39 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.415 -0.811 . . . . 1.0 109.462 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.5 -44.51 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.234 -0.654 . . . . 1.0 109.234 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -69.53 -19.17 63.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.056 . . . . 1.0 108.713 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.54 -34.13 79.94 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.766 -1.734 . . . . 1.0 108.766 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.73 -42.96 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -69.36 -19.22 63.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.586 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 90.22 14.37 58.98 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 467' ' ' GLY . 85.6 t80 57.79 121.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.029 0.442 . . . . 1.0 111.007 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -73.26 143.34 47.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.597 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.36 130.92 45.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.301 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.72 -38.3 90.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.92 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.69 -38.48 91.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.905 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.481 -179.703 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -126.89 144.81 50.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 1.0 110.463 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -130.43 148.02 52.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 433' ' ' SER . 0.4 OUTLIER 48.84 24.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.845 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -59.28 -42.08 90.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.597 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -67.41 140.13 57.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.411 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.1 t -145.59 155.86 43.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.709 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.52 138.96 57.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.286 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 31.6 p -153.6 162.08 41.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 1.0 110.762 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 440' ' ' LEU . 10.1 p -63.61 -41.59 93.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.692 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 2.4 mm? -28.46 93.85 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 O-C-N 123.806 0.691 . . . . 1.0 111.52 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.16 1.4 8.43 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 122.66 2.24 . . . . 1.0 112.445 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.5 mmm -62.63 -41.36 98.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.888 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 68.6 p-90 -66.33 -34.29 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.897 -0.721 . . . . 1.0 110.093 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -44.76 99.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.227 0.537 . . . . 1.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.618 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.914 -0.584 . . . . 1.0 112.04 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.67 -39.37 94.17 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.123 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -43.27 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.43 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.8 -42.71 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.732 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.36 -43.77 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.04 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -57.95 -45.09 87.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 119.253 -0.979 . . . . 1.0 109.862 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.88 -37.85 89.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.478 -1.237 . . . . 1.0 110.49 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.7 m -60.43 -43.19 97.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 1.0 109.754 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.6 -42.59 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.111 -0.949 . . . . 1.0 110.033 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -54.17 -38.38 65.51 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.046 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.19 -43.16 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.599 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.47 -42.3 98.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.76 -0.776 . . . . 1.0 110.336 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.65 -40.47 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 1.0 110.125 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.66 83.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.302 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.47 -40.59 97.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.983 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -58.68 -43.34 89.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.499 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.5 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.55 0.691 . . . . 1.0 109.365 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.2 m -69.26 -19.58 63.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.612 -1.176 . . . . 1.0 108.632 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.71 69.02 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 108.605 -1.798 . . . . 1.0 108.605 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.03 -42.54 96.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.23 0.538 . . . . 1.0 109.632 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -67.95 -19.11 64.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.36 -0.836 . . . . 1.0 110.939 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 90.71 15.21 57.03 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.449 ' CE2' ' O ' ' A' ' 469' ' ' ARG . 91.1 t80 -66.13 134.97 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.353 . . . . 1.0 110.479 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.449 ' O ' ' CE2' ' A' ' 468' ' ' TYR . 60.6 ttt85 -66.57 135.12 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.399 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 95.2 mt -74.2 142.4 45.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.524 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . 0.53 ' NH1' ' O ' ' A' ' 473' ' ' LYS . 71.5 ttp85 -113.09 112.08 23.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.8 -41.93 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.312 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . 0.53 ' O ' ' NH1' ' A' ' 471' ' ' ARG . 98.8 mttt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.938 -1.03 . . . . 1.0 110.742 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . 0.429 ' O ' ' OG ' ' A' ' 433' ' ' SER . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.464 -1.455 . . . . 1.0 109.464 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 434' ' ' TRP . 98.8 mttt -63.34 -42.01 98.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.775 0.321 . . . . 1.0 110.499 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.04 -39.73 93.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.869 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 430' ' ' GLY . 78.5 p -61.94 -35.92 79.86 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.141 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . 0.44 ' O ' ' O ' ' A' ' 431' ' ' LYS . 99.3 m95 -108.1 141.3 40.02 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.182 0.515 . . . . 1.0 111.274 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -65.87 -38.97 90.23 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.568 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 44.9 p -131.68 165.22 24.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.606 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 437' ' ' GLU . 55.4 mp0 -55.26 143.99 26.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.282 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 85.7 p -73.57 162.22 29.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.853 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 440' ' ' LEU . 70.8 t -62.82 -44.68 99.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.086 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 10.7 mp -27.62 92.52 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 O-C-N 123.807 0.692 . . . . 1.0 111.486 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 439' ' ' VAL . 89.2 Cg_endo -88.05 5.93 5.16 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.889 2.393 . . . . 1.0 112.622 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.2 mtt -63.66 -38.76 92.32 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.178 0.436 . . . . 1.0 112.178 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 64.5 p-90 -59.43 -22.33 61.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.698 0.629 . . . . 1.0 112.698 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.53 -31.73 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.062 -0.655 . . . . 1.0 110.187 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.96 -42.55 99.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 1.0 110.641 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.49 98.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.157 -0.928 . . . . 1.0 112.023 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.75 -39.82 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.627 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.49 -42.56 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.419 0.628 . . . . 1.0 110.552 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.47 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.493 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.49 -44.3 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.155 -0.341 . . . . 1.0 110.716 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -59.62 -46.29 89.4 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 118.972 -1.091 . . . . 1.0 110.378 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.97 -39.5 93.57 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.767 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 93.7 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.464 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 34.2 mm -65.7 -41.88 91.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.443 0.64 . . . . 1.0 110.884 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.27 95.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 1.0 111.433 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.49 -45.94 94.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.48 -44.53 94.13 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.111 -0.635 . . . . 1.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.95 -40.3 94.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.969 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.26 98.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.432 0.634 . . . . 1.0 111.316 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 464' ' ' GLY . 88.7 mt -62.23 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 1.0 110.914 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -66.64 -44.41 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.951 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.47 -45.67 91.96 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.866 -0.607 . . . . 1.0 110.626 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 467' ' ' GLY . 0.8 OUTLIER -78.92 -18.33 54.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 1.0 109.982 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -65.77 -51.48 46.3 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.495 -0.86 . . . . 1.0 111.25 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 466' ' ' TYR . 20.4 tt -66.28 -41.67 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.265 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.4 ' N ' ' CG2' ' A' ' 465' ' ' ILE . 26.8 m-85 -75.22 -20.67 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.157 -0.617 . . . . 1.0 110.443 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 80.57 12.57 82.78 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.309 -0.716 . . . . 1.0 111.309 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.492 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 88.6 t80 56.9 155.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 1.0 110.676 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.492 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 63.0 ttm-85 -67.42 133.72 50.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.217 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.07 141.11 43.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.553 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.59 -39.59 94.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.485 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.05 -43.18 99.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.237 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.416 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.529 -1.429 . . . . 1.0 109.529 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -141.13 151.1 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 1.0 110.803 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -140.57 153.42 46.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.0 p -63.15 -36.22 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.138 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -87.69 102.23 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 1.0 110.721 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.426 ' O ' ' OG ' ' A' ' 438' ' ' SER . 41.7 t0 -95.32 110.34 22.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.789 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 47.5 p -65.94 -32.21 73.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.383 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.88 -17.58 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.273 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 435' ' ' ASP . 78.4 p -59.42 -33.17 70.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.343 -179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.75 -37.87 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.646 -0.422 . . . . 1.0 110.525 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.9 mt -131.23 79.23 70.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.248 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -61.25 145.56 98.38 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.676 2.251 . . . . 1.0 112.092 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 65.1 ttp -62.89 -41.37 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 1.0 111.148 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -63.97 -36.15 83.02 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.489 -0.485 . . . . 1.0 111.276 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.32 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.45 -0.5 . . . . 1.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.83 -41.61 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.302 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.92 98.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.454 -0.794 . . . . 1.0 112.588 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.09 -41.21 99.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.348 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 448' ' ' ILE . 97.4 mt -62.29 -43.18 97.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.142 0.496 . . . . 1.0 110.847 -178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.3 t -63.64 -36.77 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-O 122.388 1.089 . . . . 1.0 110.449 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.39 -42.8 87.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.153 -0.967 . . . . 1.0 110.111 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.84 -45.85 92.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 118.885 -1.126 . . . . 1.0 109.961 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.78 -39.77 94.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.787 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 95.6 m -61.43 -46.52 89.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 40.7 mm -65.49 -41.71 91.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 122.627 1.203 . . . . 1.0 109.934 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.09 97.05 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.576 -1.193 . . . . 1.0 110.77 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.28 -44.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.846 0.314 . . . . 1.0 111.846 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.91 -42.86 99.93 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.784 -0.766 . . . . 1.0 110.526 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.33 -41.6 96.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.03 75.35 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.61 0.596 . . . . 1.0 112.61 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.2 mp -61.93 -42.94 99.68 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.397 -0.521 . . . . 1.0 111.999 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -46.14 90.33 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.912 -0.774 . . . . 1.0 108.912 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.19 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.6 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 467' ' ' GLY . 83.8 m -76.61 -22.25 54.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.13 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -63.96 -51.53 52.62 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.276 -0.964 . . . . 1.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.1 mm -63.16 -44.73 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.418 . . . . 1.0 109.932 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -75.4 -20.67 58.78 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.26 -0.576 . . . . 1.0 110.838 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 463' ' ' CYS . . . 79.66 18.82 72.3 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.222 -0.751 . . . . 1.0 111.222 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 81.7 t80 59.07 148.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.718 0.294 . . . . 1.0 110.321 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 99.9 mtt180 -75.11 141.8 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.738 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 4.7 mp -112.67 131.18 55.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.331 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -75.17 143.35 43.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.521 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -64.58 -39.61 94.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.522 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.9 tttp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.535 -179.987 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -126.87 145.0 50.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.678 0.275 . . . . 1.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -128.79 145.11 51.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.3 p -76.41 162.73 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -108.31 142.8 38.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.366 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.4 -42.53 99.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.813 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.2 m -123.79 127.79 48.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -137.25 -27.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.124 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 52.4 m -60.82 -40.83 94.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 1.0 111.008 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 439' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 440' ' ' LEU . 68.0 t -62.27 -45.37 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.052 -179.223 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 440' ' ' LEU . . . . . 0.535 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 3.0 tp -28.7 94.0 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.57 0.544 . . . . 1.0 111.31 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 439' ' ' VAL . 78.2 Cg_endo -84.24 -2.07 9.96 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.693 2.262 . . . . 1.0 113.158 -179.038 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.4 mmm -63.89 -42.04 97.56 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.222 0.452 . . . . 1.0 112.222 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 443' ' ' TRP . . . . . 0.539 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 -67.33 -48.2 68.24 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 119.963 -0.695 . . . . 1.0 111.816 -178.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 444' ' ' VAL . . . . . 0.539 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.4 p -65.32 -37.32 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.39 -41.94 97.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.327 0.584 . . . . 1.0 110.349 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.15 86.35 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.599 -178.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.43 -40.53 97.42 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.163 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 48.0 mm -61.2 -43.74 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.59 -40.05 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 122.177 0.989 . . . . 1.0 110.779 -177.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.88 -43.97 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-N 115.476 -0.784 . . . . 1.0 109.456 179.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.949 -1.1 . . . . 1.0 110.606 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.02 -39.43 87.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.547 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 28.5 p -63.34 -41.67 98.89 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.185 -0.606 . . . . 1.0 111.259 -178.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.57 -43.47 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.609 . . . . 1.0 111.162 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.65 88.33 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.085 -0.961 . . . . 1.0 112.863 -177.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.09 -42.0 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.415 -0.514 . . . . 1.0 111.824 -179.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.06 -43.49 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.998 -0.681 . . . . 1.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.36 -41.46 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.529 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.39 98.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 1.0 111.749 -178.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -43.44 98.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.961 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -66.09 -43.89 85.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.35 -45.29 93.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.054 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.2 m -78.43 -20.79 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.885 0.374 . . . . 1.0 110.093 179.388 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.86 80.01 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.375 -0.917 . . . . 1.0 110.882 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 465' ' ' ILE . . . . . 0.521 ' O ' ' NH2' ' A' ' 472' ' ' ARG . 44.1 pt -66.34 -41.51 89.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 122.803 -0.234 . . . . 1.0 111.2 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 466' ' ' TYR . . . . . 0.441 ' O ' ' O ' ' A' ' 470' ' ' LEU . 27.5 m-85 -72.38 -21.3 61.31 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.327 -0.549 . . . . 1.0 111.62 -179.784 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 83.45 22.61 56.13 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 120.746 -0.74 . . . . 1.0 111.663 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 56.37 -108.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.409 . . . . 1.0 111.409 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.58 -39.18 93.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.958 -179.392 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 470' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 466' ' ' TYR . 92.5 mt -73.27 140.13 46.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.682 -179.586 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -130.66 145.98 52.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.526 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . 0.521 ' NH2' ' O ' ' A' ' 465' ' ' ILE . 90.8 mtm-85 -129.29 145.55 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.574 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.4 pttt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.073 -0.965 . . . . 1.0 110.768 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.44 -0.207 . . . . 1.64 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.58 -44.87 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.807 -0.812 . . . . 1.73 108.807 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.37 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.33 1.062 . . . . 1.96 110.339 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.52 94.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 113.378 -1.737 . . . . 0.78 112.194 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 447' ' ' LEU . 37.0 mt -62.52 -39.83 94.83 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.848 0.832 . . . . 1.84 110.683 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.1 -42.47 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.007 -1.452 . . . . 1.2 110.297 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 80.5 t -61.34 -47.05 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.032 -0.531 . . . . 1.32 110.8 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 47.1 mt -63.37 -42.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 110.224 -0.287 . . . . 1.78 110.224 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -54.69 -48.58 72.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.733 -1.187 . . . . 1.41 109.253 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 47.6 mt -68.35 -36.52 79.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.078 -0.965 . . . . 2.18 110.416 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 13.0 m -58.62 -47.63 83.72 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.155 -0.618 . . . . 1.05 110.417 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.19 -43.13 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.971 0.891 . . . . 1.41 111.064 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.48 75.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 113.736 -1.575 . . . . 0.47 111.401 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.34 -43.06 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.517 -0.179 . . . . 0.96 110.517 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.23 -43.9 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.344 -0.543 . . . . 0.61 110.615 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.63 -40.47 88.75 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.23 0.538 . . . . 0.73 110.457 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.503 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -55.31 -46.42 76.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.258 -0.883 . . . . 0.34 110.324 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 464' ' ' GLY . 77.8 mt -63.33 -43.2 98.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 1.12 113.253 -177.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 464' ' ' GLY . 0.0 OUTLIER -71.17 -55.46 8.1 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.423 0.898 . . . . 3.08 113.423 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.75 -39.07 67.94 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.471 -1.307 . . . . 0.75 107.471 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 459' ' ' ALA . 74.1 m -77.48 -22.7 50.89 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 108.205 -1.035 . . . . 1.37 108.205 176.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 461' ' ' ARG . . . -49.1 -56.45 10.28 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 114.237 -1.347 . . . . 0.39 110.619 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 87.0 mt . . . . . 0 CA--C 1.521 -0.135 0 CA-C-N 118.691 1.246 . . . . 1.82 109.109 179.447 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.247 0.07 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.23 -45.12 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.475 -0.49 . . . . 1.0 110.169 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.62 -41.79 99.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.439 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.95 97.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.999 -1.0 . . . . 1.0 112.175 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.55 -40.04 95.97 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.58 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.336 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.88 -42.75 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.425 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -43.7 98.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.961 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.23 -45.61 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 118.815 -1.154 . . . . 1.0 111.125 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 456' ' ' VAL . 78.9 mt -66.7 -35.86 81.14 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.909 0.385 . . . . 1.0 111.403 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.3 m -64.13 -45.55 88.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.39 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 43.3 pt -69.11 -40.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 1.0 111.276 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.488 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 452' ' ' LEU . 72.3 t -65.24 -45.31 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.636 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.07 -42.96 99.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.127 -0.629 . . . . 1.0 110.743 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.17 -41.92 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.84 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.05 79.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.568 0.581 . . . . 1.0 112.568 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.5 mp -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.975 -178.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.98 -44.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.823 -0.751 . . . . 1.0 109.387 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.35 -44.81 95.6 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.496 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.0 m -77.27 -22.41 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.259 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.81 -44.8 97.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.596 -1.002 . . . . 1.0 110.596 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.698 0.285 . . . . 1.0 110.712 179.693 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.277 0.084 . . . . 1.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.32 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.182 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.52 -41.46 98.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.378 0.609 . . . . 1.0 110.823 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.25 94.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.232 -0.894 . . . . 1.0 112.246 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.22 -41.23 99.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.245 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.74 -43.42 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 1.0 110.897 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.83 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.129 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.82 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.184 -0.207 . . . . 1.0 111.032 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.49 -47.33 86.6 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.536 -0.866 . . . . 1.0 110.37 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.22 -39.23 92.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.872 0.368 . . . . 1.0 110.638 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -61.68 -45.79 92.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.631 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 458' ' ' LEU . 97.3 mt -65.01 -42.2 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.468 0.652 . . . . 1.0 111.271 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.96 97.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.232 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.54 -44.91 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.512 0.19 . . . . 1.0 111.512 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.08 -43.25 99.05 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.699 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 454' ' ' ILE . 85.4 mt -64.3 -41.33 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 1.0 111.261 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.45 98.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.166 0.508 . . . . 1.0 111.579 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.1 mt -62.07 -43.19 99.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.194 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -45.61 91.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 1.0 109.137 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.09 -44.82 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.241 -0.891 . . . . 1.0 110.578 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.4 m -76.98 -24.19 52.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.465 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.03 -49.89 64.28 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--O 1.244 0.775 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 179.514 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.282 0.087 . . . . 1.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.42 -45.07 98.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 1.0 110.042 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.56 -41.93 99.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.605 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.67 95.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.224 -0.898 . . . . 1.0 112.468 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.78 -41.46 99.26 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.382 -0.826 . . . . 1.0 111.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 33.1 mm -62.19 -43.56 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.084 0.469 . . . . 1.0 110.008 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -44.2 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.917 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.7 -43.31 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.735 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -60.5 -46.28 90.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 119.016 -1.073 . . . . 1.0 110.598 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 456' ' ' VAL . 53.2 tp -66.09 -40.71 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.042 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -63.2 -47.35 82.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.8 tt -69.65 -40.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.451 . . . . 1.0 111.637 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.87 99.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.481 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.2 t -65.08 -44.87 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.465 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.03 -42.98 99.89 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.446 -0.502 . . . . 1.0 111.033 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.449 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.382 0.61 . . . . 1.0 111.716 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.36 -43.66 98.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.178 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -67.23 -44.16 80.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.16 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.15 94.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.825 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.2 -20.04 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.177 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.249 -0.977 . . . . 1.0 110.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.1 mm . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.683 0.278 . . . . 1.0 110.783 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 111.172 0.064 . . . . 1.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.34 -44.06 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.029 0.442 . . . . 1.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -41.49 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.5 0.667 . . . . 1.0 110.493 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.67 96.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.025 -0.989 . . . . 1.0 111.914 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.97 -39.78 95.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.24 -41.79 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.82 -44.59 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.114 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.73 -43.49 98.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 121.238 -0.185 . . . . 1.0 111.088 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -60.21 -45.68 92.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 119.136 -1.025 . . . . 1.0 110.49 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 456' ' ' VAL . 53.9 tp -66.35 -39.64 89.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.17 178.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -62.9 -46.94 85.45 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 9.0 tt -68.96 -39.73 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.997 0.427 . . . . 1.0 111.548 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.226 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.6 t -65.02 -45.28 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.642 -0.253 . . . . 1.0 111.33 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.3 -43.28 98.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.356 -0.537 . . . . 1.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.21 -41.18 97.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.335 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.82 98.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 1.0 111.498 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.8 mt -61.87 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.993 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.86 90.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.901 -0.778 . . . . 1.0 108.901 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.64 -44.98 95.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.689 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.58 -22.29 51.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.046 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.76 -50.02 67.73 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.321 -0.942 . . . . 1.0 111.158 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 1.0 110.442 179.705 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 112.79 0.663 . . . . 1.0 112.79 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.94 -38.31 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 1.0 110.361 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.57 -43.15 99.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.566 0.698 . . . . 1.0 110.21 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.61 94.71 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.948 -1.024 . . . . 1.0 112.151 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.43 -42.46 99.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.173 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.01 -41.66 91.89 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 CA-C-O 122.308 1.052 . . . . 1.0 110.093 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.42 -47.36 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 114.853 -1.067 . . . . 1.0 112.357 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 40.2 pt -62.75 -39.07 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.688 -0.632 . . . . 1.0 111.623 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.64 -46.02 91.89 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 118.547 -1.261 . . . . 1.0 110.432 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.56 -39.94 92.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 1.0 111.052 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 87.9 m -61.96 -45.55 93.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.681 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 458' ' ' LEU . 94.9 mt -64.72 -43.45 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.327 0.584 . . . . 1.0 111.246 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.95 98.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.081 -0.963 . . . . 1.0 111.508 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.14 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 121.078 -0.249 . . . . 1.0 111.328 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.38 -43.18 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.405 HD12 HG22 ' A' ' 454' ' ' ILE . 88.0 mt -64.25 -41.33 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.323 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.01 98.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.181 0.515 . . . . 1.0 111.543 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.004 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.83 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.78 -45.05 95.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.737 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.56 -23.19 50.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.873 0.368 . . . . 1.0 110.103 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.16 -49.46 74.67 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.317 -0.944 . . . . 1.0 111.154 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 31.7 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.736 0.303 . . . . 1.0 110.204 179.643 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.513 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 69.3 p-90 . . . . . 0 N--CA 1.464 0.242 0 N-CA-C 111.82 0.304 . . . . 1.0 111.82 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.1 p -65.88 -38.1 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.33 -42.37 99.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.41 96.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.386 0.612 . . . . 1.0 111.441 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.38 -40.36 97.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.462 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.48 -43.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.505 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.1 t -61.64 -44.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.997 0.427 . . . . 1.0 110.573 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.1 mm -62.3 -42.57 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 119.073 -0.489 . . . . 1.0 111.636 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.65 -44.15 96.75 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.145 0.974 . . . . 1.0 109.764 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.11 -34.2 77.52 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.052 -1.431 . . . . 1.0 109.37 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 85.5 m -62.17 -42.14 98.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.326 1.06 . . . . 1.0 109.201 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.81 -43.1 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.446 -1.252 . . . . 1.0 109.97 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.66 75.88 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.164 0.507 . . . . 1.0 109.797 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.14 -43.59 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 1.0 110.765 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.22 -41.39 96.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 458' ' ' LEU . 91.3 mt -63.06 -40.21 97.02 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.099 -0.704 . . . . 1.0 109.099 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.84 77.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.771 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 9.4 mp -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.407 0.622 . . . . 1.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -44.98 89.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.285 -0.87 . . . . 1.0 108.879 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.03 -44.51 94.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.507 0.67 . . . . 1.0 109.585 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.9 m -69.93 -19.52 63.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 1.0 108.787 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -59.54 -34.48 81.59 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.788 -1.725 . . . . 1.0 108.788 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 465' ' ' ILE . 32.2 mm . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.512 ' O ' HD13 ' A' ' 447' ' ' LEU . 68.1 p-90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.611 0.243 . . . . 1.0 110.463 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.99 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 1.0 109.917 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.43 -40.6 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.32 -0.854 . . . . 1.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.96 98.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.784 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 443' ' ' TRP . 9.3 mp -62.59 -40.85 98.22 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.862 0.363 . . . . 1.0 110.458 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.09 -43.05 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.055 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.98 -43.31 92.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.304 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 450' ' ' ILE . 33.8 mm -63.43 -43.37 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.459 -0.496 . . . . 1.0 111.212 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -60.59 -45.67 93.12 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.976 -1.09 . . . . 1.0 110.559 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.82 -39.58 90.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.86 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 90.0 m -61.87 -45.55 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.586 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.55 -43.4 96.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.358 0.599 . . . . 1.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.19 99.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.742 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.11 -45.23 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.551 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.05 -42.96 99.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.101 -0.64 . . . . 1.0 110.771 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.22 -41.84 96.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.04 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.243 0.544 . . . . 1.0 112.37 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.85 -43.64 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.866 -0.607 . . . . 1.0 111.449 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.96 -44.52 80.35 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.156 -0.617 . . . . 1.0 110.144 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.56 92.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.872 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -18.51 51.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.233 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.26 -44.04 97.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.708 0.289 . . . . 1.0 110.566 179.233 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.443 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 67.4 p-90 . . . . . 0 C--O 1.226 -0.134 0 CA-C-O 120.566 0.222 . . . . 1.0 111.133 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.443 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 38.9 t -61.79 -43.45 97.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.258 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.216 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.61 97.35 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.446 0.641 . . . . 1.0 112.029 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.45 -39.19 93.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.354 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.96 -42.85 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.053 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.0 t -63.87 -41.41 92.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.123 0.487 . . . . 1.0 110.704 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.44 -44.83 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.351 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -57.58 -44.9 85.67 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 118.317 -1.353 . . . . 1.0 109.703 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.37 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.447 -1.251 . . . . 1.0 110.3 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 16.6 m -61.32 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.74 0.781 . . . . 1.0 110.175 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.4 -40.76 89.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 108.493 -0.928 . . . . 1.0 108.493 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -41.51 75.04 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.881 -0.728 . . . . 1.0 109.89 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.62 -43.35 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.343 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.25 -42.45 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.194 -0.602 . . . . 1.0 109.91 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 458' ' ' LEU . 89.1 mt -63.46 -40.86 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.287 0.565 . . . . 1.0 109.701 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.34 -39.59 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.256 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -40.9 98.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.705 -0.679 . . . . 1.0 110.984 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -43.92 87.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.543 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.3 -44.28 95.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.445 0.64 . . . . 1.0 109.369 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.1 -19.13 64.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.89 -1.05 . . . . 1.0 108.583 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.58 80.57 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.784 -1.726 . . . . 1.0 108.784 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.26 0.553 . . . . 1.0 109.71 177.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 112.491 0.552 . . . . 1.0 112.491 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.423 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.2 p -65.64 -38.55 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.558 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 445' ' ' LEU . 0.4 OUTLIER -62.12 -43.04 99.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.667 0.746 . . . . 1.0 109.43 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.7 98.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.988 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.17 -41.17 98.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.516 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.37 -42.76 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 1.0 110.575 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' VAL . . . . . 0.806 ' O ' HG23 ' A' ' 453' ' ' THR . 79.2 t -61.73 -43.7 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.445 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.88 -43.61 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.302 -0.159 . . . . 1.0 110.73 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -60.94 -46.66 89.79 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.139 -1.024 . . . . 1.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.13 -40.48 94.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.443 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 449' ' ' VAL . 51.4 p -62.86 -42.4 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.819 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.24 -43.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.63 -47.51 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.205 -0.907 . . . . 1.0 112.647 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.46 -41.5 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.334 -0.546 . . . . 1.0 111.744 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.0 -43.26 99.27 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.534 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.28 -40.91 96.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.211 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.65 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.354 0.597 . . . . 1.0 111.329 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.113 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -44.35 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.13 -0.628 . . . . 1.0 109.665 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.825 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.26 -26.12 58.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.285 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.91 -52.64 40.15 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 119.929 -1.129 . . . . 1.0 111.605 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.4 mm . . . . . 0 C--N 1.332 -0.176 0 O-C-N 122.718 -0.284 . . . . 1.0 110.868 179.775 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 112.736 0.643 . . . . 1.0 112.736 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 445' ' ' LEU . 2.0 m -63.76 -40.21 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 119.68 -0.808 . . . . 1.0 109.951 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 444' ' ' VAL . 54.2 tp -62.75 -41.93 99.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.429 0.633 . . . . 1.0 110.757 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.36 92.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.181 -0.918 . . . . 1.0 112.045 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.24 -41.26 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.107 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.69 -42.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.737 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.37 -44.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.359 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.93 -43.65 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 121.231 -0.188 . . . . 1.0 110.985 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.76 -46.42 90.54 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 118.632 -1.227 . . . . 1.0 110.322 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.89 -39.69 93.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 86.9 m -61.98 -45.71 92.46 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.421 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.25 -40.73 87.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 122.247 1.023 . . . . 1.0 110.575 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.43 96.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.539 -1.21 . . . . 1.0 110.443 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.33 -44.67 97.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.483 -0.487 . . . . 1.0 111.403 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.771 -0.772 . . . . 1.0 111.024 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.26 -40.76 96.66 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.784 -0.643 . . . . 1.0 111.24 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.89 -42.64 98.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.298 0.57 . . . . 1.0 111.548 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.1 mt -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.9 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -46.97 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.127 0.489 . . . . 1.0 109.796 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -62.21 -45.5 93.09 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.258 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -19.55 49.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.888 0.375 . . . . 1.0 110.089 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.74 -50.19 59.9 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.479 -0.867 . . . . 1.0 111.524 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 C--N 1.33 -0.268 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.926 -179.732 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.42 ' CE3' ' N ' ' A' ' 444' ' ' VAL . 67.3 p-90 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.42 ' N ' ' CE3' ' A' ' 443' ' ' TRP . 15.0 p -63.9 -37.73 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.561 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.16 -40.92 98.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 1.0 110.06 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.85 85.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.61 -1.177 . . . . 1.0 112.152 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.03 -37.08 84.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.643 0.735 . . . . 1.0 110.688 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.01 -43.11 96.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.502 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.03 -44.81 95.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.619 -1.173 . . . . 1.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 32.3 mm -62.83 -43.62 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 O-C-N 121.955 -0.466 . . . . 1.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.73 -45.61 91.66 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.739 -1.185 . . . . 1.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.75 -39.62 91.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.415 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -61.77 -45.93 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.056 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 30.7 mm -64.66 -43.61 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.228 0.537 . . . . 1.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.217 -0.901 . . . . 1.0 111.629 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.36 -45.22 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.046 -0.262 . . . . 1.0 111.287 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.02 98.75 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.2 -41.47 97.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.701 . . . . 1.0 111.397 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.97 98.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.245 0.545 . . . . 1.0 111.665 -178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.04 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.119 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -65.21 -43.81 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.486 -0.486 . . . . 1.0 109.755 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.01 -45.14 94.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.785 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.48 -21.66 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.84 59.73 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.279 -0.962 . . . . 1.0 110.719 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 1.0 110.286 179.392 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 444' ' ' VAL . 31.0 p-90 . . . . . 0 C--O 1.23 0.058 0 N-CA-C 109.876 -0.416 . . . . 1.0 109.876 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.568 ' N ' ' CG ' ' A' ' 443' ' ' TRP . 12.3 p -63.53 -38.07 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.531 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' LEU . . . . . 0.431 ' N ' HG13 ' A' ' 444' ' ' VAL . 92.3 mt -62.69 -40.3 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.496 0.665 . . . . 1.0 110.738 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.23 99.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.968 -1.015 . . . . 1.0 112.402 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.58 -40.5 97.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.713 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.8 m -64.63 -37.14 79.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.652 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 450' ' ' ILE . 35.2 mm -64.87 -44.6 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 120.144 -0.622 . . . . 1.0 110.169 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -56.55 -46.11 80.86 Favored 'General case' 0 C--O 1.246 0.876 0 C-N-CA 118.933 -1.107 . . . . 1.0 111.007 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -35.64 80.94 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.96 0.41 . . . . 1.0 111.46 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.8 m -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.449 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' ILE . . . . . 0.415 HG22 HD12 ' A' ' 458' ' ' LEU . 96.7 mt -64.13 -43.32 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.667 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.27 99.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 1.0 111.575 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.95 -45.12 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.07 -43.17 99.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.415 HD12 HG22 ' A' ' 454' ' ' ILE . 87.4 mt -64.77 -40.3 95.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.235 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.459 0.647 . . . . 1.0 111.342 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.4 mt -61.93 -43.63 98.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 1.0 110.964 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -66.86 -44.4 81.05 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.037 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -62.55 -45.41 93.08 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.782 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -17.99 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.983 0.421 . . . . 1.0 109.934 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.61 -50.63 57.93 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 120.653 -0.784 . . . . 1.0 111.464 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.332 -0.193 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.474 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.437 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 64.8 p-90 . . . . . 0 N--CA 1.461 0.111 0 N-CA-C 109.819 -0.438 . . . . 1.0 109.819 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.437 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 7.8 p -65.34 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.804 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' LEU . . . . . 0.434 ' CD2' HG13 ' A' ' 444' ' ' VAL . 3.1 mm? -62.08 -41.76 98.52 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.44 0.638 . . . . 1.0 110.534 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.74 88.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 114.752 -1.113 . . . . 1.0 112.012 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.04 -41.41 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.184 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.99 -40.09 86.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.286 0 CA-C-O 122.489 1.138 . . . . 1.0 109.507 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.15 -43.56 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.047 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 39.6 mm -63.51 -44.54 98.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.542 -0.463 . . . . 1.0 109.882 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -58.77 -47.28 85.24 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.061 -1.056 . . . . 1.0 110.351 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.8 mt -64.83 -40.24 94.87 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.106 0.479 . . . . 1.0 110.815 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.8 m -61.63 -44.9 96.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.996 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.67 -44.83 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 122.084 0.945 . . . . 1.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.15 90.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.709 -1.132 . . . . 1.0 111.678 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.13 -45.44 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.46 -43.49 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.425 -0.51 . . . . 1.0 110.991 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.6 -41.55 96.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 1.0 111.419 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.14 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 1.0 111.791 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.71 -43.5 98.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.208 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -65.49 -43.99 88.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.698 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.76 -45.41 94.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.421 -0.808 . . . . 1.0 110.62 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.84 -19.93 54.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.69 -44.01 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.388 179.256 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 112.286 0.476 . . . . 1.0 112.286 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.9 -44.69 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.474 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.14 -40.76 98.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.628 0.727 . . . . 1.0 110.691 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.75 98.43 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.803 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.5 -40.86 98.07 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.925 -178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.56 -43.26 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.402 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.01 -42.08 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.75 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.093 -0.379 . . . . 1.0 110.752 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -59.71 -45.8 91.06 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 118.854 -1.138 . . . . 1.0 110.814 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 456' ' ' VAL . 78.2 mt -66.3 -37.98 86.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 1.0 111.417 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -63.82 -46.93 82.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.74 -0.664 . . . . 1.0 112.117 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 454' ' ' ILE . 6.4 tp -68.67 -39.87 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.051 0.453 . . . . 1.0 111.17 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 454' ' ' ILE . . . -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.48 -0.782 . . . . 1.0 111.339 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 452' ' ' LEU . 70.4 t -65.09 -45.45 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.016 -0.274 . . . . 1.0 111.425 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.33 -43.35 97.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.49 -41.28 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 1.0 111.292 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.16 99.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.257 0.551 . . . . 1.0 111.619 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.188 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.06 -44.18 89.84 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.374 -0.531 . . . . 1.0 109.695 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.05 -44.81 94.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.569 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.2 m -76.35 -22.56 54.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.849 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.82 78.29 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.325 -0.94 . . . . 1.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.714 0.293 . . . . 1.0 110.463 179.822 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.448 ' CZ3' HG12 ' A' ' 444' ' ' VAL . 69.2 p-90 . . . . . 0 CA--C 1.545 0.762 0 N-CA-C 112.756 0.65 . . . . 1.0 112.756 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.448 HG12 ' CZ3' ' A' ' 443' ' ' TRP . 18.1 m -65.2 -38.51 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 119.309 -0.956 . . . . 1.0 110.441 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -42.74 99.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.657 0.741 . . . . 1.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.85 97.69 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.843 -1.071 . . . . 1.0 112.097 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.92 -40.58 95.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.91 -42.02 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.585 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.41 -44.22 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.865 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 43.5 mm -63.01 -43.77 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 122.085 -0.385 . . . . 1.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -59.3 -46.51 88.38 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 118.912 -1.115 . . . . 1.0 110.257 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.691 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 23.5 m -62.28 -45.71 92.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.028 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 458' ' ' LEU . 95.7 mt -64.58 -43.55 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.259 0.552 . . . . 1.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.82 99.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.629 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.93 -45.31 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.75 -0.204 . . . . 1.0 111.46 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.34 -43.34 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' LEU . . . . . 0.403 HD12 HG22 ' A' ' 454' ' ' ILE . 87.3 mt -64.43 -41.36 96.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.674 -0.694 . . . . 1.0 111.493 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.71 99.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.174 0.511 . . . . 1.0 111.646 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.0 mt -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.648 -0.706 . . . . 1.0 110.999 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -46.85 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.395 0.617 . . . . 1.0 109.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.79 -45.66 92.91 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.47 -0.786 . . . . 1.0 111.234 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -18.68 49.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.011 0.434 . . . . 1.0 110.165 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.78 -46.33 93.87 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.603 -0.808 . . . . 1.0 111.217 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 C--N 1.329 -0.299 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.475 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.44 ' CE2' HG23 ' A' ' 444' ' ' VAL . 68.0 p-90 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 110.082 -0.34 . . . . 1.0 110.082 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.44 HG23 ' CE2' ' A' ' 443' ' ' TRP . 76.8 t -63.0 -44.84 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 121.198 0.523 . . . . 1.0 109.952 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 1.0 111.08 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.53 97.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.663 . . . . 1.0 111.424 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.83 -41.01 97.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.92 -43.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.149 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.5 m -64.57 -38.32 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.232 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.2 -43.34 98.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 119.316 -0.373 . . . . 1.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -59.42 -45.64 90.97 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 119.151 -1.019 . . . . 1.0 110.096 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.05 -36.07 83.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.352 -1.295 . . . . 1.0 110.504 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.1 m -60.74 -44.59 96.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.339 0.59 . . . . 1.0 109.432 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.85 -40.43 87.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 CA-C-O 121.953 0.882 . . . . 1.0 109.413 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.9 83.27 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 118.31 -1.356 . . . . 1.0 109.742 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.97 -41.72 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.509 -0.769 . . . . 1.0 109.622 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.36 -42.13 99.16 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.076 -0.649 . . . . 1.0 109.567 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -40.95 98.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.791 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.78 79.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.159 -0.928 . . . . 1.0 110.325 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.36 -40.74 97.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -59.09 -43.39 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.415 -0.811 . . . . 1.0 109.462 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.5 -44.51 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.234 -0.654 . . . . 1.0 109.234 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -69.53 -19.17 63.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.056 . . . . 1.0 108.713 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.54 -34.13 79.94 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.766 -1.734 . . . . 1.0 108.766 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.6 mm . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 178.069 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.503 ' O ' HD13 ' A' ' 447' ' ' LEU . 68.6 p-90 . . . . . 0 C--O 1.23 0.058 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -44.76 99.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.227 0.537 . . . . 1.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.618 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.914 -0.584 . . . . 1.0 112.04 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 443' ' ' TRP . 9.4 mp -63.67 -39.37 94.17 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.123 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -43.27 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.43 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.8 -42.71 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.732 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.36 -43.77 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.04 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -57.95 -45.09 87.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 119.253 -0.979 . . . . 1.0 109.862 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.88 -37.85 89.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.478 -1.237 . . . . 1.0 110.49 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.7 m -60.43 -43.19 97.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 1.0 109.754 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.6 -42.59 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.111 -0.949 . . . . 1.0 110.033 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -54.17 -38.38 65.51 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.046 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.19 -43.16 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.599 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.47 -42.3 98.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.76 -0.776 . . . . 1.0 110.336 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.65 -40.47 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 1.0 110.125 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.66 83.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.302 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.47 -40.59 97.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.983 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -58.68 -43.34 89.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.499 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.5 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.55 0.691 . . . . 1.0 109.365 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.2 m -69.26 -19.58 63.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.612 -1.176 . . . . 1.0 108.632 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.71 69.02 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 108.605 -1.798 . . . . 1.0 108.605 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.23 0.538 . . . . 1.0 109.632 178.041 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 112.698 0.629 . . . . 1.0 112.698 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.53 -31.73 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.062 -0.655 . . . . 1.0 110.187 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.96 -42.55 99.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 1.0 110.641 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.49 98.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.157 -0.928 . . . . 1.0 112.023 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.75 -39.82 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.627 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.49 -42.56 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.419 0.628 . . . . 1.0 110.552 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.47 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.493 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.49 -44.3 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.155 -0.341 . . . . 1.0 110.716 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -59.62 -46.29 89.4 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 118.972 -1.091 . . . . 1.0 110.378 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.97 -39.5 93.57 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.767 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 93.7 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.464 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 34.2 mm -65.7 -41.88 91.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.443 0.64 . . . . 1.0 110.884 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.27 95.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 1.0 111.433 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.49 -45.94 94.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.48 -44.53 94.13 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.111 -0.635 . . . . 1.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.95 -40.3 94.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.969 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.26 98.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.432 0.634 . . . . 1.0 111.316 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 464' ' ' GLY . 88.7 mt -62.23 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 1.0 110.914 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -66.64 -44.41 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.951 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.47 -45.67 91.96 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.866 -0.607 . . . . 1.0 110.626 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.92 -18.33 54.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 1.0 109.982 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -65.77 -51.48 46.3 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.495 -0.86 . . . . 1.0 111.25 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 N--CA 1.461 0.119 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.265 179.883 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 111.276 0.102 . . . . 1.0 111.276 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.32 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.45 -0.5 . . . . 1.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.83 -41.61 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.302 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.92 98.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.454 -0.794 . . . . 1.0 112.588 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.09 -41.21 99.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.348 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.29 -43.18 97.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.142 0.496 . . . . 1.0 110.847 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.3 t -63.64 -36.77 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-O 122.388 1.089 . . . . 1.0 110.449 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.39 -42.8 87.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.153 -0.967 . . . . 1.0 110.111 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.84 -45.85 92.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 118.885 -1.126 . . . . 1.0 109.961 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.78 -39.77 94.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.787 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 95.6 m -61.43 -46.52 89.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 40.7 mm -65.49 -41.71 91.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 122.627 1.203 . . . . 1.0 109.934 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.09 97.05 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.576 -1.193 . . . . 1.0 110.77 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.28 -44.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.846 0.314 . . . . 1.0 111.846 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.91 -42.86 99.93 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.784 -0.766 . . . . 1.0 110.526 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.33 -41.6 96.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.03 75.35 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.61 0.596 . . . . 1.0 112.61 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.2 mp -61.93 -42.94 99.68 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.397 -0.521 . . . . 1.0 111.999 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' ARG . . . . . 0.569 ' NH1' HD11 ' A' ' 465' ' ' ILE . 0.0 OUTLIER -62.15 -46.14 90.33 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.912 -0.774 . . . . 1.0 108.912 179.329 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.19 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.6 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.8 m -76.61 -22.25 54.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.13 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -63.96 -51.53 52.62 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.276 -0.964 . . . . 1.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 465' ' ' ILE . . . . . 0.569 HD11 ' NH1' ' A' ' 461' ' ' ARG . 46.1 mm . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.418 . . . . 1.0 109.932 179.502 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 443' ' ' TRP . . . . . 0.539 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 . . . . . 0 N--CA 1.466 0.34 0 CA-C-O 120.768 0.318 . . . . 1.0 111.816 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 444' ' ' VAL . . . . . 0.539 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.4 p -65.32 -37.32 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.39 -41.94 97.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.327 0.584 . . . . 1.0 110.349 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.15 86.35 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.599 -178.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.43 -40.53 97.42 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.163 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 48.0 mm -61.2 -43.74 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 449' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 453' ' ' THR . 55.5 t -61.59 -40.05 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 122.177 0.989 . . . . 1.0 110.779 -177.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.88 -43.97 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-N 115.476 -0.784 . . . . 1.0 109.456 179.202 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.949 -1.1 . . . . 1.0 110.606 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.02 -39.43 87.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.547 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 449' ' ' VAL . 28.5 p -63.34 -41.67 98.89 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.185 -0.606 . . . . 1.0 111.259 -178.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.57 -43.47 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.609 . . . . 1.0 111.162 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.65 88.33 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.085 -0.961 . . . . 1.0 112.863 -177.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.09 -42.0 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.415 -0.514 . . . . 1.0 111.824 -179.155 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.06 -43.49 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.998 -0.681 . . . . 1.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.36 -41.46 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.529 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.39 98.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 1.0 111.749 -178.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -43.44 98.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.961 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -66.09 -43.89 85.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.35 -45.29 93.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.054 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.2 m -78.43 -20.79 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.885 0.374 . . . . 1.0 110.093 179.388 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.86 80.01 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.375 -0.917 . . . . 1.0 110.882 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 44.1 pt . . . . . 0 CA--C 1.532 0.288 0 O-C-N 122.803 -0.234 . . . . 1.0 111.2 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLY . . . . . 0.514 ' HA3' ' HE1' ' A' ' 434' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.076 0 N-CA-C 109.491 -1.444 . . . . 15.58 109.491 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.456 ' HB2' ' NZ ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -100.97 -45.09 5.53 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.8 -0.815 . . . . 16.19 108.8 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 432' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 434' ' ' TRP . 0.0 OUTLIER -40.02 126.56 2.09 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.712 -0.477 . . . . 15.74 109.712 177.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 433' ' ' SER . 60.3 p -53.44 84.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.333 -0.617 . . . . 11.93 109.333 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' TRP . . . . . 0.792 ' O ' ' N ' ' A' ' 436' ' ' THR . 32.2 m95 -54.47 -39.3 67.35 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 118.981 -1.088 . . . . 11.96 109.651 -178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 437' ' ' GLU . 2.3 t0 51.74 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.345 0.386 0 N-CA-C 106.942 -1.503 . . . . 10.18 106.942 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.792 ' N ' ' O ' ' A' ' 434' ' ' TRP . 0.1 OUTLIER -71.53 85.06 0.85 Allowed 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 104.063 -2.569 . . . . 8.42 104.063 173.575 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 435' ' ' ASP . 0.3 OUTLIER -38.86 -18.74 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 123.378 1.561 . . . . 8.63 108.879 -179.018 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 438' ' ' SER . . . . . 0.681 ' N ' ' O ' ' A' ' 436' ' ' THR . 3.0 p 169.07 140.39 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 103.374 -2.825 . . . . 5.37 103.374 176.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 438' ' ' SER . 2.8 p -47.6 -14.63 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 118.859 -1.136 . . . . 6.33 108.332 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.615 ' N ' ' C ' ' A' ' 438' ' ' SER . 0.7 OUTLIER -125.4 82.05 63.31 Favored Pre-proline 0 N--CA 1.452 -0.353 0 N-CA-C 106.806 -1.553 . . . . 5.93 106.806 175.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -55.69 120.84 8.91 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.549 1.499 . . . . 2.18 111.246 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 27.6 mtm -64.49 -42.35 95.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.581 . . . . 2.99 111.838 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -60.94 -37.29 81.83 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.396 -0.922 . . . . 1.64 110.44 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.58 -44.87 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.807 -0.812 . . . . 1.73 108.807 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.37 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.33 1.062 . . . . 1.96 110.339 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.52 94.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 113.378 -1.737 . . . . 0.78 112.194 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 447' ' ' LEU . 37.0 mt -62.52 -39.83 94.83 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.848 0.832 . . . . 1.84 110.683 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.1 -42.47 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.007 -1.452 . . . . 1.2 110.297 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 80.5 t -61.34 -47.05 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.032 -0.531 . . . . 1.32 110.8 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 47.1 mt -63.37 -42.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 110.224 -0.287 . . . . 1.78 110.224 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -54.69 -48.58 72.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.733 -1.187 . . . . 1.41 109.253 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 47.6 mt -68.35 -36.52 79.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.078 -0.965 . . . . 2.18 110.416 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 13.0 m -58.62 -47.63 83.72 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.155 -0.618 . . . . 1.05 110.417 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.19 -43.13 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.971 0.891 . . . . 1.41 111.064 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.48 75.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 113.736 -1.575 . . . . 0.47 111.401 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.34 -43.06 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.517 -0.179 . . . . 0.96 110.517 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.23 -43.9 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.344 -0.543 . . . . 0.61 110.615 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.63 -40.47 88.75 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.23 0.538 . . . . 0.73 110.457 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.503 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -55.31 -46.42 76.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.258 -0.883 . . . . 0.34 110.324 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 464' ' ' GLY . 77.8 mt -63.33 -43.2 98.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 1.12 113.253 -177.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 464' ' ' GLY . 0.0 OUTLIER -71.17 -55.46 8.1 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.423 0.898 . . . . 3.08 113.423 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.75 -39.07 67.94 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.471 -1.307 . . . . 0.75 107.471 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 459' ' ' ALA . 74.1 m -77.48 -22.7 50.89 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 108.205 -1.035 . . . . 1.37 108.205 176.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 461' ' ' ARG . . . -49.1 -56.45 10.28 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 114.237 -1.347 . . . . 0.39 110.619 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.98 -40.25 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 118.691 1.246 . . . . 1.82 109.109 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.06 -18.35 65.3 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.115 -1.034 . . . . 2.16 108.888 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 76.53 19.95 77.37 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 104.222 -3.551 . . . . 1.75 104.222 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.617 ' CE2' ' NH1' ' A' ' 469' ' ' ARG . 0.8 OUTLIER 49.74 -101.23 0.09 Allowed 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 111.445 -2.378 . . . . 5.67 109.077 -178.724 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.671 ' HE ' ' HG2' ' A' ' 471' ' ' ARG . 9.2 mtm-85 -135.65 -125.74 0.15 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.878 -0.786 . . . . 9.22 108.878 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 472' ' ' ARG . 0.5 OUTLIER 148.55 23.88 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 103.65 -2.722 . . . . 6.85 103.65 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ARG . . . . . 0.671 ' HG2' ' HE ' ' A' ' 469' ' ' ARG . 0.0 OUTLIER -4.42 -59.2 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 112.982 -1.917 . . . . 10.09 111.252 -178.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 470' ' ' LEU . 0.1 OUTLIER -36.15 -36.57 0.09 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.573 -1.194 . . . . 11.97 109.733 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 473' ' ' LYS . . . . . 0.437 ' OXT' ' O ' ' A' ' 471' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.919 -1.039 . . . . 12.97 110.926 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.513 -1.435 . . . . 1.0 109.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.0 -42.53 99.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.305 . . . . 1.0 110.694 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.85 -40.56 96.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.682 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 33.0 p -155.88 160.81 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 1.0 110.658 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -62.21 -46.77 87.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.627 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -97.82 110.79 23.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.807 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.2 p -83.6 164.91 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.42 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -122.61 128.76 51.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.4 p -156.05 161.33 40.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.03 -44.72 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.597 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 4.0 tp -120.83 84.96 38.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.577 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -61.18 145.97 98.05 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.297 1.998 . . . . 1.0 112.049 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.31 -40.45 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.483 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -63.98 -35.05 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.596 -0.442 . . . . 1.0 111.175 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.23 -45.12 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.475 -0.49 . . . . 1.0 110.169 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.62 -41.79 99.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.439 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.95 97.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.999 -1.0 . . . . 1.0 112.175 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.55 -40.04 95.97 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.58 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.336 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.88 -42.75 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.425 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -43.7 98.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.961 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.23 -45.61 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 118.815 -1.154 . . . . 1.0 111.125 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 456' ' ' VAL . 78.9 mt -66.7 -35.86 81.14 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.909 0.385 . . . . 1.0 111.403 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.3 m -64.13 -45.55 88.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.39 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 43.3 pt -69.11 -40.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 1.0 111.276 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.488 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 452' ' ' LEU . 72.3 t -65.24 -45.31 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.636 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.07 -42.96 99.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.127 -0.629 . . . . 1.0 110.743 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.17 -41.92 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.84 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.05 79.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.568 0.581 . . . . 1.0 112.568 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.5 mp -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.975 -178.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.98 -44.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.823 -0.751 . . . . 1.0 109.387 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.35 -44.81 95.6 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.496 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.0 m -77.27 -22.41 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.259 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.81 -44.8 97.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.596 -1.002 . . . . 1.0 110.596 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.32 -43.2 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.698 0.285 . . . . 1.0 110.712 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -72.46 -21.48 61.22 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.387 -0.525 . . . . 1.0 112.178 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 79.77 47.27 7.32 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.463 -0.875 . . . . 1.0 111.652 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.25 -45.22 94.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.511 -0.476 . . . . 1.0 110.159 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.46 139.41 51.62 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.334 0.588 . . . . 1.0 111.46 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.86 -40.31 96.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.694 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -59.55 -43.05 93.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.833 -0.622 . . . . 1.0 111.057 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.14 -41.78 98.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.286 -0.565 . . . . 1.0 109.936 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.365 179.304 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.63 -1.388 . . . . 1.0 109.63 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.43 144.85 50.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.909 0.385 . . . . 1.0 110.552 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -64.46 -39.34 93.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.49 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.1 p -154.48 163.17 40.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 1.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -103.19 144.8 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.687 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.26 -42.65 99.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.0 p -83.57 165.45 19.05 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.4 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -124.28 128.57 49.34 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.256 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 15.0 m -72.55 146.57 46.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.423 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 440' ' ' LEU . 23.6 m -64.33 -42.17 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.826 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.583 ' CD2' HD11 ' A' ' 445' ' ' LEU . 5.3 tp -134.37 77.32 60.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.528 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -61.39 145.28 98.34 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.812 2.341 . . . . 1.0 112.327 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.2 -40.02 93.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.378 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -64.49 -35.85 82.27 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.153 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.32 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.182 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' LEU . . . . . 0.583 HD11 ' CD2' ' A' ' 440' ' ' LEU . 90.3 mt -62.52 -41.46 98.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.378 0.609 . . . . 1.0 110.823 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.25 94.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.232 -0.894 . . . . 1.0 112.246 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.22 -41.23 99.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.245 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.74 -43.42 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 1.0 110.897 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.83 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.129 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.82 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.184 -0.207 . . . . 1.0 111.032 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.49 -47.33 86.6 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.536 -0.866 . . . . 1.0 110.37 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.22 -39.23 92.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.872 0.368 . . . . 1.0 110.638 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -61.68 -45.79 92.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.631 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 458' ' ' LEU . 97.3 mt -65.01 -42.2 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.468 0.652 . . . . 1.0 111.271 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.96 97.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.232 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.54 -44.91 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.512 0.19 . . . . 1.0 111.512 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.08 -43.25 99.05 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.699 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 454' ' ' ILE . 85.4 mt -64.3 -41.33 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 1.0 111.261 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.45 98.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.166 0.508 . . . . 1.0 111.579 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.1 mt -62.07 -43.19 99.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.194 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -45.61 91.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 1.0 109.137 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.09 -44.82 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.241 -0.891 . . . . 1.0 110.578 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 467' ' ' GLY . 80.4 m -76.98 -24.19 52.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.465 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.03 -49.89 64.28 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.39 -47.13 93.3 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -75.0 -17.45 60.53 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 120.019 -0.672 . . . . 1.0 111.007 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 463' ' ' CYS . . . 78.29 19.61 73.99 Favored Glycine 0 N--CA 1.473 1.153 0 N-CA-C 110.779 -0.928 . . . . 1.0 110.779 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 64.44 119.65 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.392 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.94 -39.53 93.65 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.934 -0.307 . . . . 1.0 110.663 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.05 131.22 54.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.412 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -128.39 147.73 50.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.745 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.11 -39.72 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.483 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.585 179.743 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.629 -1.388 . . . . 1.0 109.629 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.0 -41.92 99.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 1.0 110.584 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.32 -39.69 94.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.651 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 86.2 p -75.4 157.58 33.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.665 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -111.96 144.69 40.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.55 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 436' ' ' THR . 46.3 p-10 -64.66 -35.27 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.299 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.538 ' N ' ' OD1' ' A' ' 435' ' ' ASP . 94.3 m -122.47 128.74 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.955 -0.566 . . . . 1.0 109.993 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.36 -41.61 93.67 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.572 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 14.8 m -73.96 143.09 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.655 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.519 HG23 ' N ' ' A' ' 440' ' ' LEU . 22.9 m -64.89 -41.71 92.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.284 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.519 ' N ' HG23 ' A' ' 439' ' ' VAL . 3.7 mt -128.58 163.87 41.94 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 115.683 -0.69 . . . . 1.0 109.666 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -59.72 145.61 97.69 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 121.215 1.277 . . . . 1.0 111.686 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.6 mtt -64.01 -40.62 96.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.557 . . . . 1.0 111.356 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -64.77 -37.0 86.12 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.444 -0.502 . . . . 1.0 111.025 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.42 -45.07 98.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 1.0 110.042 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.56 -41.93 99.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.605 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.67 95.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.224 -0.898 . . . . 1.0 112.468 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.78 -41.46 99.26 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.382 -0.826 . . . . 1.0 111.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 33.1 mm -62.19 -43.56 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.084 0.469 . . . . 1.0 110.008 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -44.2 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.917 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.7 -43.31 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.735 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -60.5 -46.28 90.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 119.016 -1.073 . . . . 1.0 110.598 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 456' ' ' VAL . 53.2 tp -66.09 -40.71 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.042 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -63.2 -47.35 82.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.8 tt -69.65 -40.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.451 . . . . 1.0 111.637 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.87 99.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.481 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.2 t -65.08 -44.87 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.465 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.03 -42.98 99.89 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.446 -0.502 . . . . 1.0 111.033 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.449 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.382 0.61 . . . . 1.0 111.716 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.464 HD22 ' NH1' ' A' ' 469' ' ' ARG . 90.3 mt -62.36 -43.66 98.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.178 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -67.23 -44.16 80.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.16 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.15 94.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.825 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.2 -20.04 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.177 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.249 -0.977 . . . . 1.0 110.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.1 mm -63.92 -43.84 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.683 0.278 . . . . 1.0 110.783 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -71.34 -20.34 62.18 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.346 -0.542 . . . . 1.0 111.354 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 84.83 24.55 44.98 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.691 -0.766 . . . . 1.0 112.753 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -97.9 7.92 45.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.975 0.416 . . . . 1.0 110.387 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.464 ' NH1' HD22 ' A' ' 460' ' ' LEU . 60.3 ttt85 -61.18 -42.9 99.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.988 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 90.1 mt -105.37 133.67 49.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.462 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.9 -38.47 91.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.921 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.73 -43.36 98.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.618 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.051 -0.975 . . . . 1.0 110.454 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.532 -1.427 . . . . 1.0 109.532 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.71 144.22 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 1.0 110.426 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -68.81 132.65 47.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 86.9 p -77.4 162.13 27.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.49 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -109.65 137.85 46.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.351 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -69.7 140.37 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.759 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 25.5 m -66.1 134.33 52.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.183 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -89.92 111.05 21.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.412 . . . . 1.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.6 t -62.23 -42.95 99.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.95 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.659 ' O ' HD12 ' A' ' 440' ' ' LEU . 29.9 m -63.19 -42.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.264 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 439' ' ' VAL . 3.3 mp -127.89 80.29 72.32 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-O 121.01 0.434 . . . . 1.0 110.865 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.45 147.24 95.19 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.698 2.265 . . . . 1.0 111.652 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.11 -40.35 96.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.377 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -64.49 -35.09 79.81 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.747 -0.381 . . . . 1.0 111.172 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.34 -44.06 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.029 0.442 . . . . 1.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -41.49 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.5 0.667 . . . . 1.0 110.493 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.67 96.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.025 -0.989 . . . . 1.0 111.914 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.97 -39.78 95.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.24 -41.79 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.82 -44.59 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.114 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.73 -43.49 98.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 121.238 -0.185 . . . . 1.0 111.088 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -60.21 -45.68 92.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 119.136 -1.025 . . . . 1.0 110.49 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 456' ' ' VAL . 53.9 tp -66.35 -39.64 89.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.17 178.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -62.9 -46.94 85.45 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 9.0 tt -68.96 -39.73 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.997 0.427 . . . . 1.0 111.548 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.226 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.6 t -65.02 -45.28 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.642 -0.253 . . . . 1.0 111.33 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.3 -43.28 98.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.356 -0.537 . . . . 1.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.21 -41.18 97.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.335 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.82 98.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 1.0 111.498 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.8 mt -61.87 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.993 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.86 90.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.901 -0.778 . . . . 1.0 108.901 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.64 -44.98 95.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.689 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.58 -22.29 51.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.046 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.76 -50.02 67.73 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.321 -0.942 . . . . 1.0 111.158 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.69 -43.75 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 1.0 110.442 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -73.17 -21.27 60.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 80.91 21.23 63.72 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.912 -0.661 . . . . 1.0 111.452 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.548 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 80.7 t80 44.65 29.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.969 0.414 . . . . 1.0 110.195 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.25 -39.94 96.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.536 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.68 140.52 46.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.423 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -129.41 146.98 51.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.701 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -61.63 -43.28 99.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.345 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.523 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.69 -1.364 . . . . 1.0 109.69 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.99 -42.05 99.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 1.0 110.56 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -64.12 -40.19 95.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.3 t -61.12 -44.13 97.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -59.97 -41.53 92.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.617 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -63.05 -40.93 99.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.112 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.6 p -83.02 165.98 19.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.749 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -131.65 144.12 50.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.563 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.6 p -75.75 161.02 29.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.727 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.43 -44.87 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.379 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 6.5 mt -87.46 113.58 54.76 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.489 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' PRO . . . . . 0.407 ' CB ' ' NE1' ' A' ' 443' ' ' TRP . 21.1 Cg_exo -59.79 145.33 98.5 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 121.262 1.308 . . . . 1.0 111.757 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.26 -39.99 93.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.848 -0.615 . . . . 1.0 112.438 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.407 ' NE1' ' CB ' ' A' ' 441' ' ' PRO . 68.6 p-90 -60.57 -48.99 79.35 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.79 0.663 . . . . 1.0 112.79 -177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.94 -38.31 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 1.0 110.361 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.57 -43.15 99.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.566 0.698 . . . . 1.0 110.21 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.61 94.71 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.948 -1.024 . . . . 1.0 112.151 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.43 -42.46 99.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.173 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.01 -41.66 91.89 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 CA-C-O 122.308 1.052 . . . . 1.0 110.093 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.42 -47.36 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 114.853 -1.067 . . . . 1.0 112.357 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 40.2 pt -62.75 -39.07 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.688 -0.632 . . . . 1.0 111.623 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.64 -46.02 91.89 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 118.547 -1.261 . . . . 1.0 110.432 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.56 -39.94 92.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 1.0 111.052 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 87.9 m -61.96 -45.55 93.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.681 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 458' ' ' LEU . 94.9 mt -64.72 -43.45 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.327 0.584 . . . . 1.0 111.246 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.95 98.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.081 -0.963 . . . . 1.0 111.508 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.14 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 121.078 -0.249 . . . . 1.0 111.328 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.38 -43.18 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.405 HD12 HG22 ' A' ' 454' ' ' ILE . 88.0 mt -64.25 -41.33 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.323 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.01 98.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.181 0.515 . . . . 1.0 111.543 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.004 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.83 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.78 -45.05 95.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.737 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.56 -23.19 50.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.873 0.368 . . . . 1.0 110.103 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.16 -49.46 74.67 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.317 -0.944 . . . . 1.0 111.154 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.75 -43.57 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.736 0.303 . . . . 1.0 110.204 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -73.81 -20.94 60.31 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.623 -0.431 . . . . 1.0 111.288 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 469' ' ' ARG . . . 79.65 20.25 69.06 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.32 -0.712 . . . . 1.0 111.32 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 88.8 t80 46.47 -85.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.505 0.193 . . . . 1.0 110.972 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.625 HH22 ' CA ' ' A' ' 473' ' ' LYS . 78.1 ttt-85 -117.9 116.87 27.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.833 0.349 . . . . 1.0 110.113 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 96.5 mt -100.71 -1.36 35.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.137 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 471' ' ' ARG . . . . . 0.521 ' O ' ' NH1' ' A' ' 469' ' ' ARG . 85.9 mtp180 -75.14 140.26 43.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 1.0 110.901 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -63.79 -43.04 97.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.457 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' LYS . . . . . 0.625 ' CA ' HH22 ' A' ' 469' ' ' ARG . 88.7 tttt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.443 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.511 -1.436 . . . . 1.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 434' ' ' TRP . 98.9 mttt -62.6 -42.1 99.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.698 0.285 . . . . 1.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.86 -39.7 93.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.388 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 434' ' ' TRP . 78.2 p -67.5 -19.96 65.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 431' ' ' LYS . 96.8 m95 33.54 96.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.438 0.461 . . . . 1.0 111.098 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -95.06 111.39 23.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.462 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 18.8 m -62.32 -45.72 91.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.373 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.0 139.06 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.128 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.4 p -75.16 160.04 30.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.59 -44.91 98.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.75 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.77 83.12 54.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.558 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' PRO . . . . . 0.425 ' CB ' ' NE1' ' A' ' 443' ' ' TRP . 22.9 Cg_exo -60.57 144.85 99.57 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.434 2.089 . . . . 1.0 111.985 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.0 mtt -67.37 -38.77 85.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.039 -0.528 . . . . 1.0 112.206 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.513 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 69.3 p-90 -61.76 -48.92 78.5 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.82 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.1 p -65.88 -38.1 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.33 -42.37 99.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.41 96.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.386 0.612 . . . . 1.0 111.441 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.38 -40.36 97.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.462 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.48 -43.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.505 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.1 t -61.64 -44.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.997 0.427 . . . . 1.0 110.573 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.1 mm -62.3 -42.57 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 119.073 -0.489 . . . . 1.0 111.636 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.65 -44.15 96.75 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.145 0.974 . . . . 1.0 109.764 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.11 -34.2 77.52 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.052 -1.431 . . . . 1.0 109.37 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 85.5 m -62.17 -42.14 98.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.326 1.06 . . . . 1.0 109.201 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.81 -43.1 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.446 -1.252 . . . . 1.0 109.97 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.66 75.88 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.164 0.507 . . . . 1.0 109.797 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.14 -43.59 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 1.0 110.765 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.22 -41.39 96.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 458' ' ' LEU . 91.3 mt -63.06 -40.21 97.02 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.099 -0.704 . . . . 1.0 109.099 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.84 77.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.771 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 9.4 mp -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.407 0.622 . . . . 1.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -44.98 89.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.285 -0.87 . . . . 1.0 108.879 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.03 -44.51 94.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.507 0.67 . . . . 1.0 109.585 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.9 m -69.93 -19.52 63.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 1.0 108.787 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -59.54 -34.48 81.59 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.788 -1.725 . . . . 1.0 108.788 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 465' ' ' ILE . 32.2 mm -64.56 -43.05 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -69.47 -19.5 63.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.729 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 469' ' ' ARG . . . 89.37 10.78 65.34 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.315 -1.114 . . . . 1.0 110.315 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 87.1 t80 44.65 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.84 -0.18 . . . . 1.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.556 ' N ' ' O ' ' A' ' 467' ' ' GLY . 78.1 ttt-85 -124.65 131.05 53.49 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.722 0.296 . . . . 1.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -111.45 130.77 55.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.352 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -64.39 -39.77 94.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.522 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -102.8 136.98 41.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.49 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.938 -1.029 . . . . 1.0 110.564 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.564 -1.414 . . . . 1.0 109.564 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -107.42 146.45 31.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.957 -0.386 . . . . 1.0 109.957 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -75.11 146.29 41.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.581 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.9 p -75.25 161.85 28.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.461 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -108.98 143.0 38.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.744 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -90.6 113.68 25.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.518 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 46.3 p -65.46 -33.73 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.673 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -111.33 119.98 40.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.156 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' SER . . . . . 0.52 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 14.9 m -72.71 142.74 48.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 440' ' ' LEU . 24.7 m -65.41 -41.35 90.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.928 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.55 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 5.8 mp -53.84 145.58 31.23 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.197 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.98 -0.28 10.22 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.615 2.21 . . . . 1.0 112.314 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -62.63 -41.31 98.94 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.371 0.508 . . . . 1.0 112.371 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.55 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 68.1 p-90 -65.53 -33.89 76.97 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.014 -0.674 . . . . 1.0 110.463 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.99 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 1.0 109.917 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.43 -40.6 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.32 -0.854 . . . . 1.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.96 98.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.784 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 443' ' ' TRP . 9.3 mp -62.59 -40.85 98.22 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.862 0.363 . . . . 1.0 110.458 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.09 -43.05 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.055 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.98 -43.31 92.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.304 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 450' ' ' ILE . 33.8 mm -63.43 -43.37 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.459 -0.496 . . . . 1.0 111.212 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -60.59 -45.67 93.12 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.976 -1.09 . . . . 1.0 110.559 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.82 -39.58 90.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.86 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 90.0 m -61.87 -45.55 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.586 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.55 -43.4 96.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.358 0.599 . . . . 1.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.19 99.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.742 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.11 -45.23 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.551 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.05 -42.96 99.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.101 -0.64 . . . . 1.0 110.771 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.22 -41.84 96.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.04 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.243 0.544 . . . . 1.0 112.37 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.85 -43.64 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.866 -0.607 . . . . 1.0 111.449 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.96 -44.52 80.35 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.156 -0.617 . . . . 1.0 110.144 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.56 92.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.872 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -18.51 51.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.233 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.26 -44.04 97.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.72 -43.09 97.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.708 0.289 . . . . 1.0 110.566 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -71.17 -21.2 62.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.499 -0.481 . . . . 1.0 111.871 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.66 34.05 23.25 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.42 -0.895 . . . . 1.0 111.799 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -59.43 -45.98 90.04 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.401 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -64.08 -39.56 94.34 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.429 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.55 -42.86 99.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.33 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -62.02 -43.22 99.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.247 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -61.85 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.248 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.997 -1.001 . . . . 1.0 110.527 -179.903 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.14 -44.88 95.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 1.0 110.396 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 435' ' ' ASP . 84.0 mtt85 -64.22 -39.96 95.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.461 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 61.5 m -60.34 -42.66 96.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.809 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -60.76 -42.78 98.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.476 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 432' ' ' ARG . 54.1 t0 -96.42 112.6 24.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.504 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 98.3 m -117.23 125.9 51.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.945 0.403 . . . . 1.0 110.603 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -174.29 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.794 -0.639 . . . . 1.0 109.364 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 49.2 m -60.56 -39.01 86.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.594 -0.73 . . . . 1.0 111.163 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 440' ' ' LEU . 9.2 p -62.48 -43.88 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.55 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.519 ' N ' HG13 ' A' ' 439' ' ' VAL . 1.6 tp -141.78 70.52 24.79 Favored Pre-proline 0 N--CA 1.463 0.219 0 C-N-CA 120.754 -0.378 . . . . 1.0 111.422 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -62.83 144.93 94.46 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.787 2.324 . . . . 1.0 111.891 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.4 mtp -64.8 -40.73 95.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.502 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.443 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 67.4 p-90 -61.75 -31.96 72.18 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.896 -0.322 . . . . 1.0 111.133 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.443 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 38.9 t -61.79 -43.45 97.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.258 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.216 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.61 97.35 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.446 0.641 . . . . 1.0 112.029 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.45 -39.19 93.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.354 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.96 -42.85 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.053 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.0 t -63.87 -41.41 92.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.123 0.487 . . . . 1.0 110.704 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.44 -44.83 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.351 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -57.58 -44.9 85.67 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 118.317 -1.353 . . . . 1.0 109.703 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.37 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.447 -1.251 . . . . 1.0 110.3 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 16.6 m -61.32 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.74 0.781 . . . . 1.0 110.175 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.4 -40.76 89.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 108.493 -0.928 . . . . 1.0 108.493 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -41.51 75.04 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.881 -0.728 . . . . 1.0 109.89 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.62 -43.35 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.343 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.25 -42.45 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.194 -0.602 . . . . 1.0 109.91 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 458' ' ' LEU . 89.1 mt -63.46 -40.86 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.287 0.565 . . . . 1.0 109.701 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.34 -39.59 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.256 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -40.9 98.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.705 -0.679 . . . . 1.0 110.984 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -43.92 87.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.543 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.3 -44.28 95.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.445 0.64 . . . . 1.0 109.369 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.1 -19.13 64.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.89 -1.05 . . . . 1.0 108.583 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.58 80.57 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.784 -1.726 . . . . 1.0 108.784 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.55 -42.79 96.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.26 0.553 . . . . 1.0 109.71 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -69.1 -19.15 64.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.361 -0.836 . . . . 1.0 111.082 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 89.09 20.14 47.49 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.198 -1.161 . . . . 1.0 110.198 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 57.41 106.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 1.0 110.501 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.47 -39.5 93.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.481 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.34 141.89 45.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -140.41 153.85 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.623 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -128.93 145.78 51.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.505 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.063 -0.97 . . . . 1.0 110.598 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.57 -1.412 . . . . 1.0 109.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.63 144.04 51.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.79 0.329 . . . . 1.0 110.513 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' ARG . . . . . 0.45 ' O ' ' OD1' ' A' ' 435' ' ' ASP . 85.5 mtp180 -81.14 142.33 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.657 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 436' ' ' THR . 38.8 t -62.17 -41.34 98.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.908 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -49.07 -27.77 3.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 1.0 112.59 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 436' ' ' THR . 53.6 p-10 -62.47 -34.29 76.54 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.987 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.568 ' N ' ' OD1' ' A' ' 435' ' ' ASP . 64.8 p -132.16 158.26 42.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 1.0 110.543 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -113.14 122.32 47.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 41.8 t -70.48 145.82 50.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.465 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 440' ' ' LEU . 31.1 m -63.4 -42.2 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.344 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.5 ' N ' HG23 ' A' ' 439' ' ' VAL . 1.6 mp -110.36 169.87 5.9 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.63 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -59.57 143.16 99.74 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.417 1.412 . . . . 1.0 111.696 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 77.5 mtm -67.42 -38.6 84.85 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.609 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 -63.73 -44.93 92.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.491 0.552 . . . . 1.0 112.491 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.423 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.2 p -65.64 -38.55 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.558 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 445' ' ' LEU . 0.4 OUTLIER -62.12 -43.04 99.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.667 0.746 . . . . 1.0 109.43 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.7 98.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.988 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.17 -41.17 98.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.516 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.37 -42.76 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 1.0 110.575 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' VAL . . . . . 0.806 ' O ' HG23 ' A' ' 453' ' ' THR . 79.2 t -61.73 -43.7 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.445 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.88 -43.61 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.302 -0.159 . . . . 1.0 110.73 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -60.94 -46.66 89.79 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.139 -1.024 . . . . 1.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.13 -40.48 94.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.443 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 449' ' ' VAL . 51.4 p -62.86 -42.4 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.819 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.24 -43.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.63 -47.51 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.205 -0.907 . . . . 1.0 112.647 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.46 -41.5 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.334 -0.546 . . . . 1.0 111.744 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.0 -43.26 99.27 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.534 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.28 -40.91 96.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.211 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.65 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.354 0.597 . . . . 1.0 111.329 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.113 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -44.35 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.13 -0.628 . . . . 1.0 109.665 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.825 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.26 -26.12 58.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.285 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.91 -52.64 40.15 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 119.929 -1.129 . . . . 1.0 111.605 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.01 -44.67 97.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 O-C-N 122.718 -0.284 . . . . 1.0 110.868 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -73.94 -21.3 60.08 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.448 -0.501 . . . . 1.0 111.486 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 77.87 16.6 79.76 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.041 -0.824 . . . . 1.0 111.041 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.53 -46.97 88.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.965 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.38 -43.13 99.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 1.0 110.353 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 470' ' ' LEU . 11.0 mp -62.71 -41.72 99.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.772 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -75.52 143.59 42.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.639 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -86.83 141.15 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.59 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.924 -1.036 . . . . 1.0 110.6 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 109.585 -1.406 . . . . 1.0 109.585 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -127.08 145.51 50.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.84 0.352 . . . . 1.0 110.494 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.48 -39.67 94.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.553 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 97.5 p -157.73 162.36 38.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.567 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.34 -41.14 88.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 435' ' ' ASP . 44.9 p-10 -97.52 109.1 21.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.713 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.8 m -123.26 128.39 49.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.52 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -66.63 136.84 56.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.28 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.0 p -75.85 160.29 30.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.645 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.47 -45.06 98.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.699 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.8 tp -140.79 81.95 16.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.914 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' PRO . . . . . 0.474 ' O ' HG22 ' A' ' 444' ' ' VAL . 22.2 Cg_exo -60.58 145.05 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.405 2.07 . . . . 1.0 111.883 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 78.0 mtm -65.18 -38.05 89.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.025 -0.534 . . . . 1.0 112.042 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.451 ' NE1' ' CB ' ' A' ' 441' ' ' PRO . 68.6 p-90 -59.06 -29.46 67.33 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.736 0.643 . . . . 1.0 112.736 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 441' ' ' PRO . 2.0 m -63.76 -40.21 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 119.68 -0.808 . . . . 1.0 109.951 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 444' ' ' VAL . 54.2 tp -62.75 -41.93 99.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.429 0.633 . . . . 1.0 110.757 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.36 92.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.181 -0.918 . . . . 1.0 112.045 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.24 -41.26 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.107 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.69 -42.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.737 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.37 -44.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.359 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.93 -43.65 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 121.231 -0.188 . . . . 1.0 110.985 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.76 -46.42 90.54 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 118.632 -1.227 . . . . 1.0 110.322 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.89 -39.69 93.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 86.9 m -61.98 -45.71 92.46 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.421 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.25 -40.73 87.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 122.247 1.023 . . . . 1.0 110.575 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.43 96.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.539 -1.21 . . . . 1.0 110.443 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.33 -44.67 97.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.483 -0.487 . . . . 1.0 111.403 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.771 -0.772 . . . . 1.0 111.024 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.26 -40.76 96.66 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.784 -0.643 . . . . 1.0 111.24 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.89 -42.64 98.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.298 0.57 . . . . 1.0 111.548 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.1 mt -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.9 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -46.97 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.127 0.489 . . . . 1.0 109.796 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -62.21 -45.5 93.09 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.258 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -19.55 49.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.888 0.375 . . . . 1.0 110.089 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.74 -50.19 59.9 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.479 -0.867 . . . . 1.0 111.524 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 466' ' ' TYR . 20.4 tt -66.94 -41.4 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.926 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.473 ' N ' HG23 ' A' ' 465' ' ' ILE . 30.1 m-85 -76.22 -21.29 56.58 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.251 -0.58 . . . . 1.0 111.315 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 78.82 12.17 84.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 469' ' ' ARG . 91.4 t80 -72.43 132.27 43.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.723 0.297 . . . . 1.0 111.06 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.67 HH12 ' NH1' ' A' ' 471' ' ' ARG . 77.9 ttt-85 35.64 79.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.817 -0.628 . . . . 1.0 111.018 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 40.0 tp -112.99 125.9 54.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.397 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 471' ' ' ARG . . . . . 0.67 ' NH1' HH12 ' A' ' 469' ' ' ARG . 91.0 mtm-85 -86.4 141.41 29.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.495 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.31 145.84 51.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.605 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.508 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.754 -1.338 . . . . 1.0 109.754 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.08 139.01 54.79 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.128 -0.323 . . . . 1.0 110.128 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.14 -43.11 95.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.004 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.8 p -73.73 160.54 31.38 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.538 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -102.21 146.73 27.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.919 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -63.11 -38.8 92.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 70.8 p -134.23 156.52 48.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.488 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.62 -41.03 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.796 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 46.5 t -156.49 153.81 29.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.559 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.4 -44.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.952 0.406 . . . . 1.0 110.065 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.5 mt -130.07 78.38 74.87 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.414 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' PRO . . . . . 0.488 ' O ' HG12 ' A' ' 444' ' ' VAL . 21.6 Cg_exo -61.42 145.42 98.12 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.667 2.245 . . . . 1.0 112.64 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 65.6 ttp -67.26 -38.76 85.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.788 -0.642 . . . . 1.0 112.108 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.446 ' NE1' ' CB ' ' A' ' 441' ' ' PRO . 67.3 p-90 -59.64 -39.76 85.44 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 441' ' ' PRO . 15.0 p -63.9 -37.73 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.561 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.16 -40.92 98.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 1.0 110.06 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.85 85.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.61 -1.177 . . . . 1.0 112.152 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.03 -37.08 84.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.643 0.735 . . . . 1.0 110.688 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.01 -43.11 96.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.502 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.03 -44.81 95.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.619 -1.173 . . . . 1.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 32.3 mm -62.83 -43.62 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 O-C-N 121.955 -0.466 . . . . 1.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.73 -45.61 91.66 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.739 -1.185 . . . . 1.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.75 -39.62 91.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.415 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -61.77 -45.93 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.056 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 30.7 mm -64.66 -43.61 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.228 0.537 . . . . 1.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.217 -0.901 . . . . 1.0 111.629 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.36 -45.22 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.046 -0.262 . . . . 1.0 111.287 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.02 98.75 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.2 -41.47 97.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.701 . . . . 1.0 111.397 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.97 98.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.245 0.545 . . . . 1.0 111.665 -178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.04 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.119 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -65.21 -43.81 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.486 -0.486 . . . . 1.0 109.755 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.01 -45.14 94.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.785 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.48 -21.66 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.84 59.73 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.279 -0.962 . . . . 1.0 110.719 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.423 ' O ' ' OXT' ' A' ' 473' ' ' LYS . 94.8 mt -63.4 -43.35 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 1.0 110.286 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.445 ' O ' ' O ' ' A' ' 472' ' ' ARG . 24.1 m-85 -71.61 -20.91 61.92 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.378 -0.529 . . . . 1.0 111.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 83.19 23.96 53.25 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.517 -0.849 . . . . 1.0 111.699 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 471' ' ' ARG . 86.4 m-85 56.81 177.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.168 0.509 . . . . 1.0 110.946 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -60.79 -32.86 72.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.46 -40.75 95.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.311 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 471' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 468' ' ' TYR . 80.7 mtp85 -124.53 139.77 53.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.056 0.455 . . . . 1.0 111.03 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 466' ' ' TYR . 41.8 ttm180 -63.21 -42.79 99.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.637 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 473' ' ' LYS . . . . . 0.423 ' OXT' ' O ' ' A' ' 465' ' ' ILE . 64.1 mttp . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.047 -0.978 . . . . 1.0 110.513 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.557 -1.417 . . . . 1.0 109.557 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -127.04 144.83 50.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.789 0.328 . . . . 1.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -63.94 -40.0 95.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.534 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.0 t -138.3 145.25 41.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.515 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -60.57 -39.4 87.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.517 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -95.8 109.71 21.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.411 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.6 m -65.07 131.83 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.31 137.1 55.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.408 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 86.3 p -75.22 158.27 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.556 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.73 -44.88 98.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.622 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 38.3 tp -128.41 82.16 69.14 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.479 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' PRO . . . . . 0.46 ' O ' HG12 ' A' ' 444' ' ' VAL . 49.7 Cg_exo -54.46 -33.66 78.48 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.77 2.313 . . . . 1.0 112.207 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.4 mtt -61.41 -5.37 1.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.835 -0.621 . . . . 1.0 111.656 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 444' ' ' VAL . 31.0 p-90 -55.92 -41.51 74.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.363 -0.535 . . . . 1.0 109.876 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.568 ' N ' ' CG ' ' A' ' 443' ' ' TRP . 12.3 p -63.53 -38.07 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.531 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' LEU . . . . . 0.431 ' N ' HG13 ' A' ' 444' ' ' VAL . 92.3 mt -62.69 -40.3 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.496 0.665 . . . . 1.0 110.738 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.23 99.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.968 -1.015 . . . . 1.0 112.402 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.58 -40.5 97.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.713 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.8 m -64.63 -37.14 79.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.652 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 450' ' ' ILE . 35.2 mm -64.87 -44.6 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 120.144 -0.622 . . . . 1.0 110.169 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -56.55 -46.11 80.86 Favored 'General case' 0 C--O 1.246 0.876 0 C-N-CA 118.933 -1.107 . . . . 1.0 111.007 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -35.64 80.94 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.96 0.41 . . . . 1.0 111.46 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.8 m -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.449 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ILE . . . . . 0.415 HG22 HD12 ' A' ' 458' ' ' LEU . 96.7 mt -64.13 -43.32 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.667 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.27 99.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 1.0 111.575 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.95 -45.12 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.07 -43.17 99.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.415 HD12 HG22 ' A' ' 454' ' ' ILE . 87.4 mt -64.77 -40.3 95.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.235 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.459 0.647 . . . . 1.0 111.342 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.4 mt -61.93 -43.63 98.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 1.0 110.964 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -66.86 -44.4 81.05 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.037 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -62.55 -45.41 93.08 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.782 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 467' ' ' GLY . 0.7 OUTLIER -79.54 -17.99 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.983 0.421 . . . . 1.0 109.934 179.053 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.61 -50.63 57.93 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 120.653 -0.784 . . . . 1.0 111.464 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 466' ' ' TYR . 20.5 tt -67.13 -41.41 86.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.474 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.467 ' N ' HG23 ' A' ' 465' ' ' ILE . 31.4 m-85 -76.76 -20.72 56.16 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.476 -0.49 . . . . 1.0 110.953 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 80.94 15.83 76.44 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.443 ' O ' ' O ' ' A' ' 467' ' ' GLY . 90.7 t80 56.39 120.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.034 0.445 . . . . 1.0 111.045 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -75.12 144.88 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.477 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.41 141.4 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.574 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -64.38 -39.8 94.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.477 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.54 -39.74 94.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.431 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.462 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.543 -1.423 . . . . 1.0 109.543 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.26 -44.37 96.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.694 0.283 . . . . 1.0 110.528 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -75.01 144.32 43.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.762 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.1 p -62.35 -34.72 77.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.505 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -111.42 146.17 37.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.625 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -89.37 112.41 23.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.812 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 57.9 p -110.04 3.93 20.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.332 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.53 -36.87 85.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.909 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 41.4 t -63.59 141.25 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 1.0 110.469 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 440' ' ' LEU . 29.9 m -63.93 -42.38 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.989 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.501 ' N ' HG23 ' A' ' 439' ' ' VAL . 4.6 mt -105.65 149.76 38.29 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.546 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' A' ' 443' ' ' TRP . 38.3 Cg_endo -67.97 -16.54 45.45 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.798 2.332 . . . . 1.0 112.292 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.2 mtt -50.72 -5.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 1.0 112.5 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.45 ' H ' ' C ' ' A' ' 441' ' ' PRO . 64.8 p-90 -59.74 -37.75 79.82 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.957 -0.697 . . . . 1.0 109.819 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.437 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 7.8 p -65.34 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.804 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' LEU . . . . . 0.434 ' CD2' HG13 ' A' ' 444' ' ' VAL . 3.1 mm? -62.08 -41.76 98.52 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.44 0.638 . . . . 1.0 110.534 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.74 88.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 114.752 -1.113 . . . . 1.0 112.012 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.04 -41.41 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.184 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.99 -40.09 86.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.286 0 CA-C-O 122.489 1.138 . . . . 1.0 109.507 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.15 -43.56 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.047 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 39.6 mm -63.51 -44.54 98.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.542 -0.463 . . . . 1.0 109.882 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -58.77 -47.28 85.24 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.061 -1.056 . . . . 1.0 110.351 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.8 mt -64.83 -40.24 94.87 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.106 0.479 . . . . 1.0 110.815 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.8 m -61.63 -44.9 96.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.996 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.67 -44.83 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 122.084 0.945 . . . . 1.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.15 90.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.709 -1.132 . . . . 1.0 111.678 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.13 -45.44 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.46 -43.49 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.425 -0.51 . . . . 1.0 110.991 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.6 -41.55 96.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 1.0 111.419 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.14 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 1.0 111.791 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.71 -43.5 98.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.208 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -65.49 -43.99 88.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.698 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.76 -45.41 94.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.421 -0.808 . . . . 1.0 110.62 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.84 -19.93 54.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.69 -44.01 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.72 -43.64 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.388 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -76.46 -20.31 57.15 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.26 -0.576 . . . . 1.0 111.3 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.28 17.88 68.13 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.197 -0.525 . . . . 1.0 112.187 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -108.87 44.64 1.11 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.862 0.363 . . . . 1.0 110.878 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.18 -39.58 94.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.35 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.28 142.13 45.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.625 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.76 137.5 39.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.493 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -64.28 -39.41 93.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.53 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.953 -1.022 . . . . 1.0 110.558 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.0 -41.94 99.72 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -68.02 134.4 50.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.458 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.6 p -75.84 161.16 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.608 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -112.44 145.55 39.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.583 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -93.82 112.36 24.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.1 p -82.32 166.13 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.622 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -66.25 -38.71 88.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.184 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 31.9 p -153.49 162.62 41.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.695 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.519 HG23 ' N ' ' A' ' 440' ' ' LEU . 24.7 m -63.95 -42.24 95.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.799 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.519 ' N ' HG23 ' A' ' 439' ' ' VAL . 0.8 OUTLIER -87.54 148.41 44.12 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.525 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.49 122.27 8.14 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.108 1.872 . . . . 1.0 112.457 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 74.2 mtm -65.69 -39.21 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.705 -0.68 . . . . 1.0 111.673 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -60.25 -33.54 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.286 0.476 . . . . 1.0 112.286 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.9 -44.69 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.474 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.14 -40.76 98.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.628 0.727 . . . . 1.0 110.691 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.75 98.43 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.803 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.5 -40.86 98.07 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.925 -178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.56 -43.26 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.402 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.01 -42.08 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.75 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.093 -0.379 . . . . 1.0 110.752 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -59.71 -45.8 91.06 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 118.854 -1.138 . . . . 1.0 110.814 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 456' ' ' VAL . 78.2 mt -66.3 -37.98 86.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 1.0 111.417 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -63.82 -46.93 82.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.74 -0.664 . . . . 1.0 112.117 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 454' ' ' ILE . 6.4 tp -68.67 -39.87 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.051 0.453 . . . . 1.0 111.17 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 454' ' ' ILE . . . -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.48 -0.782 . . . . 1.0 111.339 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 452' ' ' LEU . 70.4 t -65.09 -45.45 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.016 -0.274 . . . . 1.0 111.425 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.33 -43.35 97.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.49 -41.28 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 1.0 111.292 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.16 99.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.257 0.551 . . . . 1.0 111.619 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.188 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.06 -44.18 89.84 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.374 -0.531 . . . . 1.0 109.695 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.05 -44.81 94.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.569 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 467' ' ' GLY . 82.2 m -76.35 -22.56 54.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.849 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.82 78.29 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.325 -0.94 . . . . 1.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.62 -43.74 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.714 0.293 . . . . 1.0 110.463 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -76.0 -20.38 57.9 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 469' ' ' ARG . . . 80.75 20.06 66.65 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.234 -0.746 . . . . 1.0 111.234 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 87.7 t80 51.3 8.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.298 . . . . 1.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 467' ' ' GLY . 85.2 mtp180 -128.17 146.45 50.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.408 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.04 131.85 54.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.585 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -101.18 137.76 39.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.465 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -74.11 144.24 45.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.531 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.933 -1.032 . . . . 1.0 110.533 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.07 -44.88 95.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 1.0 110.536 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -102.06 135.68 43.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 434' ' ' TRP . 16.1 m -72.85 146.96 45.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.489 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 434' ' ' TRP . 30.6 m0 57.95 127.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.697 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -90.74 111.27 22.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.453 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 47.2 p -66.25 -33.64 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.695 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -121.26 139.96 52.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.495 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.9 p -154.59 162.34 41.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 440' ' ' LEU . 9.9 p -63.36 -42.14 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.733 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 439' ' ' VAL . 1.4 tp -129.7 79.28 73.83 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.892 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 444' ' ' VAL . 21.2 Cg_exo -61.07 146.78 97.24 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.463 2.108 . . . . 1.0 111.851 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 77.8 mtm -66.55 -36.48 82.77 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.737 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.448 ' CZ3' HG12 ' A' ' 444' ' ' VAL . 69.2 p-90 -63.16 -36.45 83.66 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 112.756 0.65 . . . . 1.0 112.756 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 441' ' ' PRO . 18.1 m -65.2 -38.51 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 119.309 -0.956 . . . . 1.0 110.441 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -42.74 99.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.657 0.741 . . . . 1.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.85 97.69 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.843 -1.071 . . . . 1.0 112.097 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.92 -40.58 95.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.91 -42.02 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.585 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.41 -44.22 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.865 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 43.5 mm -63.01 -43.77 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 122.085 -0.385 . . . . 1.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -59.3 -46.51 88.38 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 118.912 -1.115 . . . . 1.0 110.257 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.691 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 23.5 m -62.28 -45.71 92.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.028 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 458' ' ' LEU . 95.7 mt -64.58 -43.55 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.259 0.552 . . . . 1.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.82 99.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.629 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.93 -45.31 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.75 -0.204 . . . . 1.0 111.46 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.34 -43.34 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' LEU . . . . . 0.403 HD12 HG22 ' A' ' 454' ' ' ILE . 87.3 mt -64.43 -41.36 96.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.674 -0.694 . . . . 1.0 111.493 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.71 99.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.174 0.511 . . . . 1.0 111.646 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.0 mt -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.648 -0.706 . . . . 1.0 110.999 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -46.85 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.395 0.617 . . . . 1.0 109.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.79 -45.66 92.91 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.47 -0.786 . . . . 1.0 111.234 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -18.68 49.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.011 0.434 . . . . 1.0 110.165 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.78 -46.33 93.87 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.603 -0.808 . . . . 1.0 111.217 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 466' ' ' TYR . 20.4 tt -66.53 -39.51 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.475 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.416 ' N ' HG23 ' A' ' 465' ' ' ILE . 44.9 m-85 -73.53 -20.85 60.55 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.13 -0.628 . . . . 1.0 111.522 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.93 24.74 51.85 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.809 -0.71 . . . . 1.0 112.356 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -101.1 9.95 41.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.707 0.289 . . . . 1.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 54.2 ptt85 -63.33 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 470' ' ' LEU . . . . . 0.43 ' CD2' ' O ' ' A' ' 472' ' ' ARG . 39.4 tp -111.85 127.23 55.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.234 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.61 -43.45 98.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.368 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.43 ' O ' ' CD2' ' A' ' 470' ' ' LEU . 76.6 ttt180 -124.88 131.72 53.4 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.902 0.382 . . . . 1.0 110.807 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.607 179.728 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 430' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 433' ' ' SER . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.443 -1.463 . . . . 1.0 109.443 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.42 -42.02 98.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.835 0.35 . . . . 1.0 110.726 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.63 -40.12 94.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.704 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 430' ' ' GLY . 31.0 t -117.01 131.29 56.99 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.961 0.41 . . . . 1.0 111.108 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -59.95 -38.56 82.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.61 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.79 108.02 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.477 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.779 ' O ' HG22 ' A' ' 439' ' ' VAL . 69.9 p -84.93 165.68 17.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.791 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.523 ' OE2' ' CZ2' ' A' ' 443' ' ' TRP . 83.3 tt0 -69.49 -33.58 73.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.794 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 60.1 m -58.97 -40.23 84.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.597 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 436' ' ' THR . 22.9 m -62.26 -23.19 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.644 -0.422 . . . . 1.0 111.242 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 6.2 mt -114.23 83.87 8.69 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.551 -0.295 . . . . 1.0 111.115 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.61 10.23 3.78 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 123.077 2.518 . . . . 1.0 112.105 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.6 mtt -63.18 -40.43 97.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.274 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.523 ' CZ2' ' OE2' ' A' ' 437' ' ' GLU . 68.0 p-90 -63.81 -34.84 78.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.311 -0.556 . . . . 1.0 110.082 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.44 HG23 ' CE2' ' A' ' 443' ' ' TRP . 76.8 t -63.0 -44.84 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 121.198 0.523 . . . . 1.0 109.952 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 1.0 111.08 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.53 97.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.663 . . . . 1.0 111.424 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.83 -41.01 97.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.92 -43.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.149 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.5 m -64.57 -38.32 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.232 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.2 -43.34 98.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 119.316 -0.373 . . . . 1.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -59.42 -45.64 90.97 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 119.151 -1.019 . . . . 1.0 110.096 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.05 -36.07 83.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.352 -1.295 . . . . 1.0 110.504 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.1 m -60.74 -44.59 96.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.339 0.59 . . . . 1.0 109.432 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.85 -40.43 87.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 CA-C-O 121.953 0.882 . . . . 1.0 109.413 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.9 83.27 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 118.31 -1.356 . . . . 1.0 109.742 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.97 -41.72 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.509 -0.769 . . . . 1.0 109.622 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.36 -42.13 99.16 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.076 -0.649 . . . . 1.0 109.567 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -40.95 98.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.791 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.78 79.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.159 -0.928 . . . . 1.0 110.325 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.36 -40.74 97.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -59.09 -43.39 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.415 -0.811 . . . . 1.0 109.462 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.5 -44.51 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.234 -0.654 . . . . 1.0 109.234 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -69.53 -19.17 63.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.056 . . . . 1.0 108.713 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.54 -34.13 79.94 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.766 -1.734 . . . . 1.0 108.766 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.73 -42.96 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -69.36 -19.22 63.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.586 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 90.22 14.37 58.98 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 467' ' ' GLY . 85.6 t80 57.79 121.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.029 0.442 . . . . 1.0 111.007 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -73.26 143.34 47.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.597 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.36 130.92 45.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.301 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.72 -38.3 90.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.92 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.69 -38.48 91.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.905 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.481 -179.703 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -126.89 144.81 50.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 1.0 110.463 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -130.43 148.02 52.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 433' ' ' SER . 0.4 OUTLIER 48.84 24.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.845 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -59.28 -42.08 90.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.597 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -67.41 140.13 57.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.411 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.1 t -145.59 155.86 43.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.709 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.52 138.96 57.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.286 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 31.6 p -153.6 162.08 41.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 1.0 110.762 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 440' ' ' LEU . 10.1 p -63.61 -41.59 93.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.692 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 2.4 mm? -28.46 93.85 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 O-C-N 123.806 0.691 . . . . 1.0 111.52 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.16 1.4 8.43 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 122.66 2.24 . . . . 1.0 112.445 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.5 mmm -62.63 -41.36 98.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.888 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 68.6 p-90 -66.33 -34.29 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.897 -0.721 . . . . 1.0 110.093 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -44.76 99.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.227 0.537 . . . . 1.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.618 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.914 -0.584 . . . . 1.0 112.04 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 443' ' ' TRP . 9.4 mp -63.67 -39.37 94.17 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.123 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -43.27 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.43 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.8 -42.71 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.732 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.36 -43.77 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.04 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -57.95 -45.09 87.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 119.253 -0.979 . . . . 1.0 109.862 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.88 -37.85 89.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.478 -1.237 . . . . 1.0 110.49 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.7 m -60.43 -43.19 97.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 1.0 109.754 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.6 -42.59 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.111 -0.949 . . . . 1.0 110.033 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -54.17 -38.38 65.51 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.046 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.19 -43.16 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.599 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.47 -42.3 98.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.76 -0.776 . . . . 1.0 110.336 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.65 -40.47 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 1.0 110.125 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.66 83.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.302 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.47 -40.59 97.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.983 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -58.68 -43.34 89.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.499 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.5 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.55 0.691 . . . . 1.0 109.365 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.2 m -69.26 -19.58 63.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.612 -1.176 . . . . 1.0 108.632 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.71 69.02 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 108.605 -1.798 . . . . 1.0 108.605 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.03 -42.54 96.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.23 0.538 . . . . 1.0 109.632 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -67.95 -19.11 64.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.36 -0.836 . . . . 1.0 110.939 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 90.71 15.21 57.03 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.449 ' CE2' ' O ' ' A' ' 469' ' ' ARG . 91.1 t80 -66.13 134.97 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.353 . . . . 1.0 110.479 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.449 ' O ' ' CE2' ' A' ' 468' ' ' TYR . 60.6 ttt85 -66.57 135.12 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.399 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 95.2 mt -74.2 142.4 45.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.524 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 471' ' ' ARG . . . . . 0.53 ' NH1' ' O ' ' A' ' 473' ' ' LYS . 71.5 ttp85 -113.09 112.08 23.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.8 -41.93 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.312 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' LYS . . . . . 0.53 ' O ' ' NH1' ' A' ' 471' ' ' ARG . 98.8 mttt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.938 -1.03 . . . . 1.0 110.742 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.464 -1.455 . . . . 1.0 109.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 434' ' ' TRP . 98.8 mttt -63.34 -42.01 98.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.775 0.321 . . . . 1.0 110.499 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.04 -39.73 93.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.869 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.5 p -61.94 -35.92 79.86 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.141 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' TRP . . . . . 0.44 ' O ' ' O ' ' A' ' 431' ' ' LYS . 99.3 m95 -108.1 141.3 40.02 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.182 0.515 . . . . 1.0 111.274 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -65.87 -38.97 90.23 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.568 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 44.9 p -131.68 165.22 24.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.606 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -55.26 143.99 26.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.282 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 85.7 p -73.57 162.22 29.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.853 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 440' ' ' LEU . 70.8 t -62.82 -44.68 99.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.086 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 10.7 mp -27.62 92.52 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 O-C-N 123.807 0.692 . . . . 1.0 111.486 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' PRO . . . . . 0.808 ' O ' HG12 ' A' ' 444' ' ' VAL . 89.2 Cg_endo -88.05 5.93 5.16 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.889 2.393 . . . . 1.0 112.622 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.2 mtt -63.66 -38.76 92.32 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.178 0.436 . . . . 1.0 112.178 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 64.5 p-90 -59.43 -22.33 61.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.698 0.629 . . . . 1.0 112.698 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.808 HG12 ' O ' ' A' ' 441' ' ' PRO . 9.0 p -61.53 -31.73 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.062 -0.655 . . . . 1.0 110.187 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.96 -42.55 99.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 1.0 110.641 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.49 98.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.157 -0.928 . . . . 1.0 112.023 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.75 -39.82 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.627 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.49 -42.56 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.419 0.628 . . . . 1.0 110.552 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.47 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.493 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.49 -44.3 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.155 -0.341 . . . . 1.0 110.716 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -59.62 -46.29 89.4 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 118.972 -1.091 . . . . 1.0 110.378 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.97 -39.5 93.57 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.767 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 93.7 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.464 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 34.2 mm -65.7 -41.88 91.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.443 0.64 . . . . 1.0 110.884 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.27 95.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 1.0 111.433 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.49 -45.94 94.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.48 -44.53 94.13 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.111 -0.635 . . . . 1.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.95 -40.3 94.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.969 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.26 98.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.432 0.634 . . . . 1.0 111.316 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 464' ' ' GLY . 88.7 mt -62.23 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 1.0 110.914 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -66.64 -44.41 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.951 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.47 -45.67 91.96 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.866 -0.607 . . . . 1.0 110.626 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 467' ' ' GLY . 0.8 OUTLIER -78.92 -18.33 54.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 1.0 109.982 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -65.77 -51.48 46.3 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.495 -0.86 . . . . 1.0 111.25 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 466' ' ' TYR . 20.4 tt -66.28 -41.67 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.265 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.47 ' N ' HG23 ' A' ' 465' ' ' ILE . 26.8 m-85 -75.22 -20.67 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.157 -0.617 . . . . 1.0 110.443 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 80.57 12.57 82.78 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.309 -0.716 . . . . 1.0 111.309 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.492 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 88.6 t80 56.9 155.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 1.0 110.676 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.492 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 63.0 ttm-85 -67.42 133.72 50.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.217 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.07 141.11 43.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.553 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.59 -39.59 94.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.485 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.05 -43.18 99.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.237 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.416 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.529 -1.429 . . . . 1.0 109.529 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -141.13 151.1 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 1.0 110.803 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' ARG . . . . . 0.53 ' NH2' HG23 ' A' ' 436' ' ' THR . 36.1 ptt180 -140.57 153.42 46.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.0 p -63.15 -36.22 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.138 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -87.69 102.23 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 1.0 110.721 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -95.32 110.34 22.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.737 ' O ' HG12 ' A' ' 439' ' ' VAL . 47.5 p -65.94 -32.21 73.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.383 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.88 -17.58 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.273 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.4 p -59.42 -33.17 70.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.343 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 436' ' ' THR . 14.5 p -63.75 -37.87 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.646 -0.422 . . . . 1.0 110.525 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.9 mt -131.23 79.23 70.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.248 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -61.25 145.56 98.38 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.676 2.251 . . . . 1.0 112.092 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 65.1 ttp -62.89 -41.37 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 1.0 111.148 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -63.97 -36.15 83.02 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.489 -0.485 . . . . 1.0 111.276 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.32 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.45 -0.5 . . . . 1.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.83 -41.61 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.302 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.92 98.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.454 -0.794 . . . . 1.0 112.588 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.09 -41.21 99.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.348 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.29 -43.18 97.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.142 0.496 . . . . 1.0 110.847 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.3 t -63.64 -36.77 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-O 122.388 1.089 . . . . 1.0 110.449 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.39 -42.8 87.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.153 -0.967 . . . . 1.0 110.111 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.84 -45.85 92.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 118.885 -1.126 . . . . 1.0 109.961 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.78 -39.77 94.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.787 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 95.6 m -61.43 -46.52 89.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 40.7 mm -65.49 -41.71 91.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 122.627 1.203 . . . . 1.0 109.934 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.09 97.05 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.576 -1.193 . . . . 1.0 110.77 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.28 -44.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.846 0.314 . . . . 1.0 111.846 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.91 -42.86 99.93 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.784 -0.766 . . . . 1.0 110.526 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.33 -41.6 96.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.03 75.35 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.61 0.596 . . . . 1.0 112.61 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.2 mp -61.93 -42.94 99.68 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.397 -0.521 . . . . 1.0 111.999 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ARG . . . . . 0.569 ' NH1' HD11 ' A' ' 465' ' ' ILE . 0.0 OUTLIER -62.15 -46.14 90.33 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.912 -0.774 . . . . 1.0 108.912 179.329 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.19 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.6 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 467' ' ' GLY . 83.8 m -76.61 -22.25 54.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.13 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -63.96 -51.53 52.62 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.276 -0.964 . . . . 1.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.569 HD11 ' NH1' ' A' ' 461' ' ' ARG . 46.1 mm -63.16 -44.73 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.418 . . . . 1.0 109.932 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -75.4 -20.67 58.78 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.26 -0.576 . . . . 1.0 110.838 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 463' ' ' CYS . . . 79.66 18.82 72.3 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.222 -0.751 . . . . 1.0 111.222 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 468' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 81.7 t80 59.07 148.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.718 0.294 . . . . 1.0 110.321 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 99.9 mtt180 -75.11 141.8 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.738 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 4.7 mp -112.67 131.18 55.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.331 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -75.17 143.35 43.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.521 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -64.58 -39.61 94.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.522 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.9 tttp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.535 -179.987 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -126.87 145.0 50.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.678 0.275 . . . . 1.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -128.79 145.11 51.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.3 p -76.41 162.73 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -108.31 142.8 38.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.366 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.4 -42.53 99.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.813 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.2 m -123.79 127.79 48.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -137.25 -27.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.124 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 52.4 m -60.82 -40.83 94.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 1.0 111.008 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 439' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 440' ' ' LEU . 68.0 t -62.27 -45.37 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.052 -179.223 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 440' ' ' LEU . . . . . 0.535 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 3.0 tp -28.7 94.0 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.57 0.544 . . . . 1.0 111.31 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 441' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 439' ' ' VAL . 78.2 Cg_endo -84.24 -2.07 9.96 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.693 2.262 . . . . 1.0 113.158 -179.038 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.4 mmm -63.89 -42.04 97.56 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.222 0.452 . . . . 1.0 112.222 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 443' ' ' TRP . . . . . 0.539 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 -67.33 -48.2 68.24 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 119.963 -0.695 . . . . 1.0 111.816 -178.596 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 444' ' ' VAL . . . . . 0.539 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.4 p -65.32 -37.32 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.39 -41.94 97.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.327 0.584 . . . . 1.0 110.349 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.15 86.35 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.599 -178.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.43 -40.53 97.42 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.163 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 48.0 mm -61.2 -43.74 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 449' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 453' ' ' THR . 55.5 t -61.59 -40.05 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 122.177 0.989 . . . . 1.0 110.779 -177.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.88 -43.97 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-N 115.476 -0.784 . . . . 1.0 109.456 179.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.949 -1.1 . . . . 1.0 110.606 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.02 -39.43 87.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.547 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 449' ' ' VAL . 28.5 p -63.34 -41.67 98.89 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.185 -0.606 . . . . 1.0 111.259 -178.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.57 -43.47 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.609 . . . . 1.0 111.162 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.65 88.33 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.085 -0.961 . . . . 1.0 112.863 -177.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.09 -42.0 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.415 -0.514 . . . . 1.0 111.824 -179.155 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.06 -43.49 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.998 -0.681 . . . . 1.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.36 -41.46 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.529 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.39 98.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 1.0 111.749 -178.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -43.44 98.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.961 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -66.09 -43.89 85.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.35 -45.29 93.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.054 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.2 m -78.43 -20.79 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.885 0.374 . . . . 1.0 110.093 179.388 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.86 80.01 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.375 -0.917 . . . . 1.0 110.882 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 465' ' ' ILE . . . . . 0.521 ' O ' ' NH2' ' A' ' 472' ' ' ARG . 44.1 pt -66.34 -41.51 89.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 122.803 -0.234 . . . . 1.0 111.2 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 466' ' ' TYR . . . . . 0.441 ' O ' ' O ' ' A' ' 470' ' ' LEU . 27.5 m-85 -72.38 -21.3 61.31 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.327 -0.549 . . . . 1.0 111.62 -179.784 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 83.45 22.61 56.13 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 120.746 -0.74 . . . . 1.0 111.663 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 56.37 -108.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.409 . . . . 1.0 111.409 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.58 -39.18 93.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.958 -179.392 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 470' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 466' ' ' TYR . 92.5 mt -73.27 140.13 46.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.682 -179.586 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -130.66 145.98 52.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.526 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 472' ' ' ARG . . . . . 0.521 ' NH2' ' O ' ' A' ' 465' ' ' ILE . 90.8 mtm-85 -129.29 145.55 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.574 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.4 pttt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.073 -0.965 . . . . 1.0 110.768 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.44 -0.207 . . . . 1.6399999999999999 110.44 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.58 -44.87 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.807 -0.812 . . . . 1.73 108.807 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.37 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.33 1.062 . . . . 1.96 110.339 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.52 94.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 113.378 -1.737 . . . . 0.78000000000000003 112.194 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 447' ' ' LEU . 37.0 mt -62.52 -39.83 94.83 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.848 0.832 . . . . 1.8400000000000001 110.683 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.1 -42.47 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.007 -1.452 . . . . 1.2 110.297 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 80.5 t -61.34 -47.05 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.032 -0.531 . . . . 1.3200000000000001 110.8 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 47.1 mt -63.37 -42.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 110.224 -0.287 . . . . 1.78 110.224 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -54.69 -48.58 72.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.733 -1.187 . . . . 1.4099999999999999 109.253 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 47.6 mt -68.35 -36.52 79.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.078 -0.965 . . . . 2.1800000000000002 110.416 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 13.0 m -58.62 -47.63 83.72 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.155 -0.618 . . . . 1.05 110.417 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.19 -43.13 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.971 0.891 . . . . 1.4099999999999999 111.064 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.48 75.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 113.736 -1.575 . . . . 0.46999999999999997 111.401 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.34 -43.06 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.517 -0.179 . . . . 0.95999999999999996 110.517 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.23 -43.9 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.344 -0.543 . . . . 0.60999999999999999 110.615 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.63 -40.47 88.75 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.23 0.538 . . . . 0.72999999999999998 110.457 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.503 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -55.31 -46.42 76.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.258 -0.883 . . . . 0.34000000000000002 110.324 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 464' ' ' GLY . 77.8 mt -63.33 -43.2 98.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 1.1200000000000001 113.253 -177.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 464' ' ' GLY . 0.0 OUTLIER -71.17 -55.46 8.1 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.423 0.898 . . . . 3.0800000000000001 113.423 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.75 -39.07 67.94 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.471 -1.307 . . . . 0.75 107.471 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 459' ' ' ALA . 74.1 m -77.48 -22.7 50.89 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 108.205 -1.035 . . . . 1.3700000000000001 108.205 176.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 461' ' ' ARG . . . -49.1 -56.45 10.28 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 114.237 -1.347 . . . . 0.39000000000000001 110.619 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 87.0 mt . . . . . 0 CA--C 1.521 -0.135 0 CA-C-N 118.691 1.246 . . . . 1.8200000000000001 109.109 179.447 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.247 0.07 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.23 -45.12 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.475 -0.49 . . . . 1.0 110.169 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.62 -41.79 99.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.439 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.95 97.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.999 -1.0 . . . . 1.0 112.175 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.55 -40.04 95.97 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.58 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.336 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.88 -42.75 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.425 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -43.7 98.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.961 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.23 -45.61 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 118.815 -1.154 . . . . 1.0 111.125 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 456' ' ' VAL . 78.9 mt -66.7 -35.86 81.14 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.909 0.385 . . . . 1.0 111.403 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.3 m -64.13 -45.55 88.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.39 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 43.3 pt -69.11 -40.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 1.0 111.276 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.488 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 452' ' ' LEU . 72.3 t -65.24 -45.31 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.636 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.07 -42.96 99.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.127 -0.629 . . . . 1.0 110.743 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.17 -41.92 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.84 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.05 79.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.568 0.581 . . . . 1.0 112.568 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.5 mp -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.975 -178.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.98 -44.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.823 -0.751 . . . . 1.0 109.387 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.35 -44.81 95.6 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.496 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.0 m -77.27 -22.41 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.259 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.81 -44.8 97.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.596 -1.002 . . . . 1.0 110.596 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.698 0.285 . . . . 1.0 110.712 179.693 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.277 0.084 . . . . 1.0 111.153 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.32 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.182 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.52 -41.46 98.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.378 0.609 . . . . 1.0 110.823 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.25 94.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.232 -0.894 . . . . 1.0 112.246 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.22 -41.23 99.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.245 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.74 -43.42 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 1.0 110.897 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.83 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.129 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.82 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.184 -0.207 . . . . 1.0 111.032 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.49 -47.33 86.6 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.536 -0.866 . . . . 1.0 110.37 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.22 -39.23 92.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.872 0.368 . . . . 1.0 110.638 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -61.68 -45.79 92.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.631 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 458' ' ' LEU . 97.3 mt -65.01 -42.2 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.468 0.652 . . . . 1.0 111.271 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.96 97.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.232 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.54 -44.91 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.512 0.19 . . . . 1.0 111.512 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.08 -43.25 99.05 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.699 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 454' ' ' ILE . 85.4 mt -64.3 -41.33 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 1.0 111.261 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.45 98.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.166 0.508 . . . . 1.0 111.579 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.1 mt -62.07 -43.19 99.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.194 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -45.61 91.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 1.0 109.137 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.09 -44.82 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.241 -0.891 . . . . 1.0 110.578 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.4 m -76.98 -24.19 52.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.465 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.03 -49.89 64.28 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--O 1.244 0.775 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 179.514 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.282 0.087 . . . . 1.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.42 -45.07 98.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 1.0 110.042 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.56 -41.93 99.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.605 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.67 95.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.224 -0.898 . . . . 1.0 112.468 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.78 -41.46 99.26 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.382 -0.826 . . . . 1.0 111.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 33.1 mm -62.19 -43.56 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.084 0.469 . . . . 1.0 110.008 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -44.2 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.917 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.7 -43.31 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.735 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -60.5 -46.28 90.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 119.016 -1.073 . . . . 1.0 110.598 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 456' ' ' VAL . 53.2 tp -66.09 -40.71 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.042 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -63.2 -47.35 82.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.8 tt -69.65 -40.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.451 . . . . 1.0 111.637 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.87 99.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.481 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.2 t -65.08 -44.87 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.465 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.03 -42.98 99.89 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.446 -0.502 . . . . 1.0 111.033 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.449 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.382 0.61 . . . . 1.0 111.716 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.36 -43.66 98.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.178 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -67.23 -44.16 80.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.16 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.15 94.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.825 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.2 -20.04 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.177 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.249 -0.977 . . . . 1.0 110.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.1 mm . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.683 0.278 . . . . 1.0 110.783 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 111.172 0.064 . . . . 1.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.34 -44.06 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.029 0.442 . . . . 1.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -41.49 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.5 0.667 . . . . 1.0 110.493 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.67 96.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.025 -0.989 . . . . 1.0 111.914 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.97 -39.78 95.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.24 -41.79 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.82 -44.59 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.114 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.73 -43.49 98.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 121.238 -0.185 . . . . 1.0 111.088 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -60.21 -45.68 92.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 119.136 -1.025 . . . . 1.0 110.49 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 456' ' ' VAL . 53.9 tp -66.35 -39.64 89.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.17 178.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -62.9 -46.94 85.45 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 9.0 tt -68.96 -39.73 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.997 0.427 . . . . 1.0 111.548 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.226 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.6 t -65.02 -45.28 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.642 -0.253 . . . . 1.0 111.33 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.3 -43.28 98.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.356 -0.537 . . . . 1.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.21 -41.18 97.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.335 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.82 98.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 1.0 111.498 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.8 mt -61.87 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.993 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.86 90.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.901 -0.778 . . . . 1.0 108.901 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.64 -44.98 95.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.689 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.58 -22.29 51.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.046 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.76 -50.02 67.73 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.321 -0.942 . . . . 1.0 111.158 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 1.0 110.442 179.705 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 112.79 0.663 . . . . 1.0 112.79 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.94 -38.31 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 1.0 110.361 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.57 -43.15 99.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.566 0.698 . . . . 1.0 110.21 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.61 94.71 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.948 -1.024 . . . . 1.0 112.151 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.43 -42.46 99.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.173 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.01 -41.66 91.89 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 CA-C-O 122.308 1.052 . . . . 1.0 110.093 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.42 -47.36 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 114.853 -1.067 . . . . 1.0 112.357 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 40.2 pt -62.75 -39.07 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.688 -0.632 . . . . 1.0 111.623 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.64 -46.02 91.89 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 118.547 -1.261 . . . . 1.0 110.432 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.56 -39.94 92.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 1.0 111.052 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 87.9 m -61.96 -45.55 93.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.681 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 458' ' ' LEU . 94.9 mt -64.72 -43.45 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.327 0.584 . . . . 1.0 111.246 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.95 98.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.081 -0.963 . . . . 1.0 111.508 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.14 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 121.078 -0.249 . . . . 1.0 111.328 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.38 -43.18 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.405 HD12 HG22 ' A' ' 454' ' ' ILE . 88.0 mt -64.25 -41.33 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.323 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.01 98.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.181 0.515 . . . . 1.0 111.543 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.004 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.83 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.78 -45.05 95.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.737 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.56 -23.19 50.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.873 0.368 . . . . 1.0 110.103 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.16 -49.46 74.67 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.317 -0.944 . . . . 1.0 111.154 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 31.7 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.736 0.303 . . . . 1.0 110.204 179.643 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.513 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 69.3 p-90 . . . . . 0 N--CA 1.464 0.242 0 N-CA-C 111.82 0.304 . . . . 1.0 111.82 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.1 p -65.88 -38.1 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.33 -42.37 99.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.41 96.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.386 0.612 . . . . 1.0 111.441 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.38 -40.36 97.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.462 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.48 -43.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.505 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.1 t -61.64 -44.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.997 0.427 . . . . 1.0 110.573 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.1 mm -62.3 -42.57 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 119.073 -0.489 . . . . 1.0 111.636 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.65 -44.15 96.75 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.145 0.974 . . . . 1.0 109.764 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.11 -34.2 77.52 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.052 -1.431 . . . . 1.0 109.37 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 85.5 m -62.17 -42.14 98.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.326 1.06 . . . . 1.0 109.201 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.81 -43.1 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.446 -1.252 . . . . 1.0 109.97 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.66 75.88 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.164 0.507 . . . . 1.0 109.797 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.14 -43.59 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 1.0 110.765 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.22 -41.39 96.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 458' ' ' LEU . 91.3 mt -63.06 -40.21 97.02 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.099 -0.704 . . . . 1.0 109.099 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.84 77.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.771 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 9.4 mp -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.407 0.622 . . . . 1.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -44.98 89.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.285 -0.87 . . . . 1.0 108.879 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.03 -44.51 94.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.507 0.67 . . . . 1.0 109.585 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.9 m -69.93 -19.52 63.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 1.0 108.787 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -59.54 -34.48 81.59 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.788 -1.725 . . . . 1.0 108.788 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 465' ' ' ILE . 32.2 mm . . . . . 0 C--N 1.331 -0.232 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.512 ' O ' HD13 ' A' ' 447' ' ' LEU . 68.1 p-90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.611 0.243 . . . . 1.0 110.463 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.99 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 1.0 109.917 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.43 -40.6 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.32 -0.854 . . . . 1.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.96 98.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.784 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 443' ' ' TRP . 9.3 mp -62.59 -40.85 98.22 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.862 0.363 . . . . 1.0 110.458 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.09 -43.05 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.055 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.98 -43.31 92.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.304 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 450' ' ' ILE . 33.8 mm -63.43 -43.37 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.459 -0.496 . . . . 1.0 111.212 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -60.59 -45.67 93.12 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.976 -1.09 . . . . 1.0 110.559 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.82 -39.58 90.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.86 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 90.0 m -61.87 -45.55 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.586 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.55 -43.4 96.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.358 0.599 . . . . 1.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.19 99.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.742 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.11 -45.23 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.551 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.05 -42.96 99.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.101 -0.64 . . . . 1.0 110.771 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.22 -41.84 96.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.04 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.243 0.544 . . . . 1.0 112.37 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.85 -43.64 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.866 -0.607 . . . . 1.0 111.449 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.96 -44.52 80.35 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.156 -0.617 . . . . 1.0 110.144 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.56 92.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.872 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -18.51 51.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.233 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.26 -44.04 97.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.708 0.289 . . . . 1.0 110.566 179.233 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.443 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 67.4 p-90 . . . . . 0 C--O 1.226 -0.134 0 CA-C-O 120.566 0.222 . . . . 1.0 111.133 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.443 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 38.9 t -61.79 -43.45 97.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.258 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.216 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.61 97.35 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.446 0.641 . . . . 1.0 112.029 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.45 -39.19 93.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.354 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.96 -42.85 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.053 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.0 t -63.87 -41.41 92.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.123 0.487 . . . . 1.0 110.704 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.44 -44.83 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.351 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -57.58 -44.9 85.67 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 118.317 -1.353 . . . . 1.0 109.703 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.37 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.447 -1.251 . . . . 1.0 110.3 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 16.6 m -61.32 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.74 0.781 . . . . 1.0 110.175 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.4 -40.76 89.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 108.493 -0.928 . . . . 1.0 108.493 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -41.51 75.04 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.881 -0.728 . . . . 1.0 109.89 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.62 -43.35 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.343 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.25 -42.45 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.194 -0.602 . . . . 1.0 109.91 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 458' ' ' LEU . 89.1 mt -63.46 -40.86 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.287 0.565 . . . . 1.0 109.701 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.34 -39.59 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.256 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -40.9 98.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.705 -0.679 . . . . 1.0 110.984 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -43.92 87.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.543 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.3 -44.28 95.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.445 0.64 . . . . 1.0 109.369 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.1 -19.13 64.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.89 -1.05 . . . . 1.0 108.583 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.58 80.57 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.784 -1.726 . . . . 1.0 108.784 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.26 0.553 . . . . 1.0 109.71 177.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 112.491 0.552 . . . . 1.0 112.491 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.423 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.2 p -65.64 -38.55 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.558 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 445' ' ' LEU . 0.4 OUTLIER -62.12 -43.04 99.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.667 0.746 . . . . 1.0 109.43 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.7 98.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.988 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.17 -41.17 98.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.516 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.37 -42.76 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 1.0 110.575 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . 0.806 ' O ' HG23 ' A' ' 453' ' ' THR . 79.2 t -61.73 -43.7 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.445 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.88 -43.61 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.302 -0.159 . . . . 1.0 110.73 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -60.94 -46.66 89.79 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.139 -1.024 . . . . 1.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.13 -40.48 94.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.443 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 449' ' ' VAL . 51.4 p -62.86 -42.4 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.819 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.24 -43.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.63 -47.51 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.205 -0.907 . . . . 1.0 112.647 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.46 -41.5 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.334 -0.546 . . . . 1.0 111.744 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.0 -43.26 99.27 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.534 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.28 -40.91 96.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.211 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.65 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.354 0.597 . . . . 1.0 111.329 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.113 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -44.35 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.13 -0.628 . . . . 1.0 109.665 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.825 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.26 -26.12 58.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.285 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.91 -52.64 40.15 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 119.929 -1.129 . . . . 1.0 111.605 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.4 mm . . . . . 0 C--N 1.332 -0.176 0 O-C-N 122.718 -0.284 . . . . 1.0 110.868 179.775 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 112.736 0.643 . . . . 1.0 112.736 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 445' ' ' LEU . 2.0 m -63.76 -40.21 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 119.68 -0.808 . . . . 1.0 109.951 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 444' ' ' VAL . 54.2 tp -62.75 -41.93 99.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.429 0.633 . . . . 1.0 110.757 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.36 92.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.181 -0.918 . . . . 1.0 112.045 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.24 -41.26 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.107 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.69 -42.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.737 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.37 -44.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.359 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.93 -43.65 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 121.231 -0.188 . . . . 1.0 110.985 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.76 -46.42 90.54 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 118.632 -1.227 . . . . 1.0 110.322 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.89 -39.69 93.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 86.9 m -61.98 -45.71 92.46 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.421 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.25 -40.73 87.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 122.247 1.023 . . . . 1.0 110.575 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.43 96.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.539 -1.21 . . . . 1.0 110.443 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.33 -44.67 97.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.483 -0.487 . . . . 1.0 111.403 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.771 -0.772 . . . . 1.0 111.024 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.26 -40.76 96.66 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.784 -0.643 . . . . 1.0 111.24 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.89 -42.64 98.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.298 0.57 . . . . 1.0 111.548 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.1 mt -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.9 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -46.97 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.127 0.489 . . . . 1.0 109.796 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -62.21 -45.5 93.09 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.258 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -19.55 49.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.888 0.375 . . . . 1.0 110.089 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.74 -50.19 59.9 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.479 -0.867 . . . . 1.0 111.524 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 C--N 1.33 -0.268 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.926 -179.732 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.42 ' CE3' ' N ' ' A' ' 444' ' ' VAL . 67.3 p-90 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.42 ' N ' ' CE3' ' A' ' 443' ' ' TRP . 15.0 p -63.9 -37.73 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.561 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.16 -40.92 98.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 1.0 110.06 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.85 85.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.61 -1.177 . . . . 1.0 112.152 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.03 -37.08 84.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.643 0.735 . . . . 1.0 110.688 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.01 -43.11 96.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.502 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.03 -44.81 95.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.619 -1.173 . . . . 1.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 32.3 mm -62.83 -43.62 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 O-C-N 121.955 -0.466 . . . . 1.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.73 -45.61 91.66 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.739 -1.185 . . . . 1.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.75 -39.62 91.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.415 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -61.77 -45.93 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.056 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 30.7 mm -64.66 -43.61 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.228 0.537 . . . . 1.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.217 -0.901 . . . . 1.0 111.629 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.36 -45.22 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.046 -0.262 . . . . 1.0 111.287 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.02 98.75 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.2 -41.47 97.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.701 . . . . 1.0 111.397 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.97 98.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.245 0.545 . . . . 1.0 111.665 -178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.04 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.119 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -65.21 -43.81 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.486 -0.486 . . . . 1.0 109.755 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.01 -45.14 94.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.785 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.48 -21.66 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.84 59.73 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.279 -0.962 . . . . 1.0 110.719 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 1.0 110.286 179.392 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 444' ' ' VAL . 31.0 p-90 . . . . . 0 C--O 1.23 0.058 0 N-CA-C 109.876 -0.416 . . . . 1.0 109.876 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.568 ' N ' ' CG ' ' A' ' 443' ' ' TRP . 12.3 p -63.53 -38.07 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.531 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . 0.431 ' N ' HG13 ' A' ' 444' ' ' VAL . 92.3 mt -62.69 -40.3 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.496 0.665 . . . . 1.0 110.738 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.23 99.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.968 -1.015 . . . . 1.0 112.402 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.58 -40.5 97.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.713 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.8 m -64.63 -37.14 79.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.652 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 450' ' ' ILE . 35.2 mm -64.87 -44.6 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 120.144 -0.622 . . . . 1.0 110.169 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -56.55 -46.11 80.86 Favored 'General case' 0 C--O 1.246 0.876 0 C-N-CA 118.933 -1.107 . . . . 1.0 111.007 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -35.64 80.94 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.96 0.41 . . . . 1.0 111.46 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.8 m -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.449 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . 0.415 HG22 HD12 ' A' ' 458' ' ' LEU . 96.7 mt -64.13 -43.32 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.667 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.27 99.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 1.0 111.575 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.95 -45.12 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.07 -43.17 99.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.415 HD12 HG22 ' A' ' 454' ' ' ILE . 87.4 mt -64.77 -40.3 95.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.235 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.459 0.647 . . . . 1.0 111.342 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.4 mt -61.93 -43.63 98.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 1.0 110.964 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -66.86 -44.4 81.05 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.037 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -62.55 -45.41 93.08 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.782 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -17.99 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.983 0.421 . . . . 1.0 109.934 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.61 -50.63 57.93 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 120.653 -0.784 . . . . 1.0 111.464 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 C--N 1.332 -0.193 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.474 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.437 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 64.8 p-90 . . . . . 0 N--CA 1.461 0.111 0 N-CA-C 109.819 -0.438 . . . . 1.0 109.819 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.437 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 7.8 p -65.34 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.804 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . 0.434 ' CD2' HG13 ' A' ' 444' ' ' VAL . 3.1 mm? -62.08 -41.76 98.52 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.44 0.638 . . . . 1.0 110.534 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.74 88.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 114.752 -1.113 . . . . 1.0 112.012 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.04 -41.41 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.184 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.99 -40.09 86.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.286 0 CA-C-O 122.489 1.138 . . . . 1.0 109.507 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.15 -43.56 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.047 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 39.6 mm -63.51 -44.54 98.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.542 -0.463 . . . . 1.0 109.882 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -58.77 -47.28 85.24 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.061 -1.056 . . . . 1.0 110.351 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.8 mt -64.83 -40.24 94.87 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.106 0.479 . . . . 1.0 110.815 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.8 m -61.63 -44.9 96.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.996 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.67 -44.83 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 122.084 0.945 . . . . 1.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.15 90.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.709 -1.132 . . . . 1.0 111.678 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.13 -45.44 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.46 -43.49 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.425 -0.51 . . . . 1.0 110.991 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.6 -41.55 96.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 1.0 111.419 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.14 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 1.0 111.791 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.71 -43.5 98.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.208 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -65.49 -43.99 88.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.698 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.76 -45.41 94.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.421 -0.808 . . . . 1.0 110.62 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.84 -19.93 54.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.69 -44.01 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.388 179.256 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 112.286 0.476 . . . . 1.0 112.286 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.9 -44.69 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.474 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.14 -40.76 98.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.628 0.727 . . . . 1.0 110.691 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.75 98.43 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.803 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.5 -40.86 98.07 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.925 -178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.56 -43.26 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.402 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.01 -42.08 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.75 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.093 -0.379 . . . . 1.0 110.752 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -59.71 -45.8 91.06 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 118.854 -1.138 . . . . 1.0 110.814 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 456' ' ' VAL . 78.2 mt -66.3 -37.98 86.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 1.0 111.417 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -63.82 -46.93 82.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.74 -0.664 . . . . 1.0 112.117 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 454' ' ' ILE . 6.4 tp -68.67 -39.87 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.051 0.453 . . . . 1.0 111.17 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 454' ' ' ILE . . . -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.48 -0.782 . . . . 1.0 111.339 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 452' ' ' LEU . 70.4 t -65.09 -45.45 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.016 -0.274 . . . . 1.0 111.425 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.33 -43.35 97.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.49 -41.28 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 1.0 111.292 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.16 99.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.257 0.551 . . . . 1.0 111.619 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.188 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.06 -44.18 89.84 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.374 -0.531 . . . . 1.0 109.695 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.05 -44.81 94.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.569 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.2 m -76.35 -22.56 54.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.849 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.82 78.29 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.325 -0.94 . . . . 1.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.714 0.293 . . . . 1.0 110.463 179.822 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.448 ' CZ3' HG12 ' A' ' 444' ' ' VAL . 69.2 p-90 . . . . . 0 CA--C 1.545 0.762 0 N-CA-C 112.756 0.65 . . . . 1.0 112.756 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.448 HG12 ' CZ3' ' A' ' 443' ' ' TRP . 18.1 m -65.2 -38.51 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 119.309 -0.956 . . . . 1.0 110.441 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -42.74 99.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.657 0.741 . . . . 1.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.85 97.69 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.843 -1.071 . . . . 1.0 112.097 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.92 -40.58 95.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.91 -42.02 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.585 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.41 -44.22 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.865 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 43.5 mm -63.01 -43.77 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 122.085 -0.385 . . . . 1.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -59.3 -46.51 88.38 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 118.912 -1.115 . . . . 1.0 110.257 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.691 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 23.5 m -62.28 -45.71 92.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.028 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 458' ' ' LEU . 95.7 mt -64.58 -43.55 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.259 0.552 . . . . 1.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.82 99.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.629 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.93 -45.31 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.75 -0.204 . . . . 1.0 111.46 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.34 -43.34 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . 0.403 HD12 HG22 ' A' ' 454' ' ' ILE . 87.3 mt -64.43 -41.36 96.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.674 -0.694 . . . . 1.0 111.493 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.71 99.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.174 0.511 . . . . 1.0 111.646 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.0 mt -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.648 -0.706 . . . . 1.0 110.999 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -46.85 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.395 0.617 . . . . 1.0 109.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.79 -45.66 92.91 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.47 -0.786 . . . . 1.0 111.234 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -18.68 49.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.011 0.434 . . . . 1.0 110.165 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.78 -46.33 93.87 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.603 -0.808 . . . . 1.0 111.217 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 C--N 1.329 -0.299 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.475 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.44 ' CE2' HG23 ' A' ' 444' ' ' VAL . 68.0 p-90 . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 110.082 -0.34 . . . . 1.0 110.082 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.44 HG23 ' CE2' ' A' ' 443' ' ' TRP . 76.8 t -63.0 -44.84 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 121.198 0.523 . . . . 1.0 109.952 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 1.0 111.08 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.53 97.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.663 . . . . 1.0 111.424 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.83 -41.01 97.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.92 -43.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.149 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.5 m -64.57 -38.32 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.232 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.2 -43.34 98.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 119.316 -0.373 . . . . 1.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -59.42 -45.64 90.97 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 119.151 -1.019 . . . . 1.0 110.096 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.05 -36.07 83.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.352 -1.295 . . . . 1.0 110.504 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.1 m -60.74 -44.59 96.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.339 0.59 . . . . 1.0 109.432 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.85 -40.43 87.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 CA-C-O 121.953 0.882 . . . . 1.0 109.413 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.9 83.27 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 118.31 -1.356 . . . . 1.0 109.742 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.97 -41.72 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.509 -0.769 . . . . 1.0 109.622 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.36 -42.13 99.16 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.076 -0.649 . . . . 1.0 109.567 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -40.95 98.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.791 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.78 79.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.159 -0.928 . . . . 1.0 110.325 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.36 -40.74 97.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -59.09 -43.39 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.415 -0.811 . . . . 1.0 109.462 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.5 -44.51 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.234 -0.654 . . . . 1.0 109.234 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -69.53 -19.17 63.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.056 . . . . 1.0 108.713 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.54 -34.13 79.94 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.766 -1.734 . . . . 1.0 108.766 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.6 mm . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 178.069 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.503 ' O ' HD13 ' A' ' 447' ' ' LEU . 68.6 p-90 . . . . . 0 C--O 1.23 0.058 0 N-CA-C 110.093 -0.336 . . . . 1.0 110.093 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -44.76 99.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.227 0.537 . . . . 1.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.618 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.914 -0.584 . . . . 1.0 112.04 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 443' ' ' TRP . 9.4 mp -63.67 -39.37 94.17 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.123 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -43.27 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.43 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.8 -42.71 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.732 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.36 -43.77 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.04 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -57.95 -45.09 87.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 119.253 -0.979 . . . . 1.0 109.862 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.88 -37.85 89.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.478 -1.237 . . . . 1.0 110.49 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.7 m -60.43 -43.19 97.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 1.0 109.754 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.6 -42.59 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.111 -0.949 . . . . 1.0 110.033 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -54.17 -38.38 65.51 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.046 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.19 -43.16 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.599 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.47 -42.3 98.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.76 -0.776 . . . . 1.0 110.336 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.65 -40.47 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 1.0 110.125 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.66 83.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.302 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.47 -40.59 97.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.983 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -58.68 -43.34 89.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.499 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.5 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.55 0.691 . . . . 1.0 109.365 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.2 m -69.26 -19.58 63.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.612 -1.176 . . . . 1.0 108.632 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.71 69.02 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 108.605 -1.798 . . . . 1.0 108.605 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 121.23 0.538 . . . . 1.0 109.632 178.041 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 112.698 0.629 . . . . 1.0 112.698 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.53 -31.73 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.062 -0.655 . . . . 1.0 110.187 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.96 -42.55 99.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 1.0 110.641 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.49 98.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.157 -0.928 . . . . 1.0 112.023 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.75 -39.82 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.627 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.49 -42.56 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.419 0.628 . . . . 1.0 110.552 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.47 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.493 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.49 -44.3 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.155 -0.341 . . . . 1.0 110.716 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -59.62 -46.29 89.4 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 118.972 -1.091 . . . . 1.0 110.378 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.97 -39.5 93.57 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.767 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 93.7 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.464 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 34.2 mm -65.7 -41.88 91.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.443 0.64 . . . . 1.0 110.884 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.27 95.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 1.0 111.433 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.49 -45.94 94.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.48 -44.53 94.13 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.111 -0.635 . . . . 1.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.95 -40.3 94.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.969 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.26 98.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.432 0.634 . . . . 1.0 111.316 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 464' ' ' GLY . 88.7 mt -62.23 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 1.0 110.914 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -66.64 -44.41 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.951 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.47 -45.67 91.96 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.866 -0.607 . . . . 1.0 110.626 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.92 -18.33 54.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 1.0 109.982 179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -65.77 -51.48 46.3 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.495 -0.86 . . . . 1.0 111.25 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 20.4 tt . . . . . 0 N--CA 1.461 0.119 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.265 179.883 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 111.276 0.102 . . . . 1.0 111.276 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.32 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.45 -0.5 . . . . 1.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.83 -41.61 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.302 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.92 98.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.454 -0.794 . . . . 1.0 112.588 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.09 -41.21 99.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.348 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.29 -43.18 97.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.142 0.496 . . . . 1.0 110.847 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.3 t -63.64 -36.77 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-O 122.388 1.089 . . . . 1.0 110.449 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.39 -42.8 87.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.153 -0.967 . . . . 1.0 110.111 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.84 -45.85 92.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 118.885 -1.126 . . . . 1.0 109.961 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.78 -39.77 94.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.787 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 95.6 m -61.43 -46.52 89.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 40.7 mm -65.49 -41.71 91.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 122.627 1.203 . . . . 1.0 109.934 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.09 97.05 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.576 -1.193 . . . . 1.0 110.77 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.28 -44.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.846 0.314 . . . . 1.0 111.846 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.91 -42.86 99.93 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.784 -0.766 . . . . 1.0 110.526 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.33 -41.6 96.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.03 75.35 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.61 0.596 . . . . 1.0 112.61 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.2 mp -61.93 -42.94 99.68 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.397 -0.521 . . . . 1.0 111.999 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . 0.569 ' NH1' HD11 ' A' ' 465' ' ' ILE . 0.0 OUTLIER -62.15 -46.14 90.33 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.912 -0.774 . . . . 1.0 108.912 179.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.19 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.6 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.8 m -76.61 -22.25 54.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.13 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -63.96 -51.53 52.62 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.276 -0.964 . . . . 1.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . 0.569 HD11 ' NH1' ' A' ' 461' ' ' ARG . 46.1 mm . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.418 . . . . 1.0 109.932 179.502 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 443' ' ' TRP . . . . . 0.539 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 . . . . . 0 N--CA 1.466 0.34 0 CA-C-O 120.768 0.318 . . . . 1.0 111.816 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 444' ' ' VAL . . . . . 0.539 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.4 p -65.32 -37.32 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.39 -41.94 97.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.327 0.584 . . . . 1.0 110.349 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.15 86.35 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.599 -178.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.43 -40.53 97.42 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.163 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 48.0 mm -61.2 -43.74 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 449' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 453' ' ' THR . 55.5 t -61.59 -40.05 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 122.177 0.989 . . . . 1.0 110.779 -177.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.88 -43.97 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-N 115.476 -0.784 . . . . 1.0 109.456 179.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.949 -1.1 . . . . 1.0 110.606 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.02 -39.43 87.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.547 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 449' ' ' VAL . 28.5 p -63.34 -41.67 98.89 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.185 -0.606 . . . . 1.0 111.259 -178.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.57 -43.47 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.609 . . . . 1.0 111.162 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.65 88.33 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.085 -0.961 . . . . 1.0 112.863 -177.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.09 -42.0 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.415 -0.514 . . . . 1.0 111.824 -179.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.06 -43.49 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.998 -0.681 . . . . 1.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.36 -41.46 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.529 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.39 98.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 1.0 111.749 -178.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -43.44 98.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.961 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -66.09 -43.89 85.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.35 -45.29 93.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.054 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.2 m -78.43 -20.79 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.885 0.374 . . . . 1.0 110.093 179.388 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.86 80.01 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.375 -0.917 . . . . 1.0 110.882 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 44.1 pt . . . . . 0 CA--C 1.532 0.288 0 O-C-N 122.803 -0.234 . . . . 1.0 111.2 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . 0.514 ' HA3' ' HE1' ' A' ' 434' ' ' TRP . . . . . . . . 0 N--CA 1.487 2.076 0 N-CA-C 109.491 -1.444 . . . . 15.58 109.491 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.456 ' NZ ' ' HB2' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -100.97 -45.09 5.53 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.8 -0.815 . . . . 16.190000000000001 108.8 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 434' ' ' TRP . 0.0 OUTLIER -40.02 126.56 2.09 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.712 -0.477 . . . . 15.74 109.712 177.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 433' ' ' SER . 60.3 p -53.44 84.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.333 -0.617 . . . . 11.93 109.333 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . 0.792 ' O ' ' N ' ' A' ' 436' ' ' THR . 32.2 m95 -54.47 -39.3 67.35 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 118.981 -1.088 . . . . 11.960000000000001 109.651 -178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 437' ' ' GLU . 2.3 t0 51.74 -74.3 0.01 OUTLIER 'General case' 0 C--N 1.345 0.386 0 N-CA-C 106.942 -1.503 . . . . 10.18 106.942 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.792 ' N ' ' O ' ' A' ' 434' ' ' TRP . 0.1 OUTLIER -71.53 85.06 0.85 Allowed 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 104.063 -2.569 . . . . 8.4199999999999999 104.063 173.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 435' ' ' ASP . 0.3 OUTLIER -38.86 -18.74 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 123.378 1.561 . . . . 8.6300000000000008 108.879 -179.018 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . 0.681 ' N ' ' O ' ' A' ' 436' ' ' THR . 3.0 p 169.07 140.39 0.02 OUTLIER 'General case' 0 N--CA 1.412 -2.356 0 N-CA-C 103.374 -2.825 . . . . 5.3700000000000001 103.374 176.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 438' ' ' SER . 2.8 p -47.6 -14.63 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 C-N-CA 118.859 -1.136 . . . . 6.3300000000000001 108.332 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.615 ' N ' ' C ' ' A' ' 438' ' ' SER . 0.7 OUTLIER -125.4 82.05 63.31 Favored Pre-proline 0 N--CA 1.452 -0.353 0 N-CA-C 106.806 -1.553 . . . . 5.9299999999999997 106.806 175.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -55.69 120.84 8.91 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.549 1.499 . . . . 2.1800000000000002 111.246 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 27.6 mtm -64.49 -42.35 95.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.923 -0.581 . . . . 2.9900000000000002 111.838 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 69.0 p-90 -60.94 -37.29 81.83 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 119.396 -0.922 . . . . 1.6399999999999999 110.44 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.6 t -63.58 -44.87 98.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.182 0 N-CA-C 108.807 -0.812 . . . . 1.73 108.807 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.37 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.33 1.062 . . . . 1.96 110.339 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.52 94.08 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 113.378 -1.737 . . . . 0.78000000000000003 112.194 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 447' ' ' LEU . 37.0 mt -62.52 -39.83 94.83 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.848 0.832 . . . . 1.8400000000000001 110.683 -178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.1 -42.47 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.007 -1.452 . . . . 1.2 110.297 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 80.5 t -61.34 -47.05 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.032 -0.531 . . . . 1.3200000000000001 110.8 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 47.1 mt -63.37 -42.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 110.224 -0.287 . . . . 1.78 110.224 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -54.69 -48.58 72.26 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.733 -1.187 . . . . 1.4099999999999999 109.253 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 47.6 mt -68.35 -36.52 79.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.078 -0.965 . . . . 2.1800000000000002 110.416 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 13.0 m -58.62 -47.63 83.72 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.155 -0.618 . . . . 1.05 110.417 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 91.6 mt -66.19 -43.13 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 121.971 0.891 . . . . 1.4099999999999999 111.064 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -48.48 75.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 113.736 -1.575 . . . . 0.46999999999999997 111.401 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.34 -43.06 91.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.517 -0.179 . . . . 0.95999999999999996 110.517 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.23 -43.9 97.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.344 -0.543 . . . . 0.60999999999999999 110.615 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.63 -40.47 88.75 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.23 0.538 . . . . 0.72999999999999998 110.457 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.503 ' O ' ' SG ' ' A' ' 463' ' ' CYS . . . -55.31 -46.42 76.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.258 -0.883 . . . . 0.34000000000000002 110.324 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 464' ' ' GLY . 77.8 mt -63.33 -43.2 98.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.753 -1.112 . . . . 1.1200000000000001 113.253 -177.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 464' ' ' GLY . 0.0 OUTLIER -71.17 -55.46 8.1 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.423 0.898 . . . . 3.0800000000000001 113.423 -177.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -54.75 -39.07 67.94 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.471 -1.307 . . . . 0.75 107.471 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 459' ' ' ALA . 74.1 m -77.48 -22.7 50.89 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 108.205 -1.035 . . . . 1.3700000000000001 108.205 176.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 461' ' ' ARG . . . -49.1 -56.45 10.28 Favored Glycine 0 CA--C 1.523 0.574 0 CA-C-N 114.237 -1.347 . . . . 0.39000000000000001 110.619 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 87.0 mt -58.98 -40.25 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 CA-C-N 118.691 1.246 . . . . 1.8200000000000001 109.109 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.06 -18.35 65.3 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 119.115 -1.034 . . . . 2.1600000000000001 108.888 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 76.53 19.95 77.37 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 104.222 -3.551 . . . . 1.75 104.222 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.617 ' CE2' ' NH1' ' A' ' 469' ' ' ARG . 0.8 OUTLIER 49.74 -101.23 0.09 Allowed 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 111.445 -2.378 . . . . 5.6699999999999999 109.077 -178.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.671 ' HE ' ' HG2' ' A' ' 471' ' ' ARG . 9.2 mtm-85 -135.65 -125.74 0.15 Allowed 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.878 -0.786 . . . . 9.2200000000000006 108.878 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 472' ' ' ARG . 0.5 OUTLIER 148.55 23.88 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 103.65 -2.722 . . . . 6.8499999999999996 103.65 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . 0.671 ' HG2' ' HE ' ' A' ' 469' ' ' ARG . 0.0 OUTLIER -4.42 -59.2 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 112.982 -1.917 . . . . 10.09 111.252 -178.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 470' ' ' LEU . 0.1 OUTLIER -36.15 -36.57 0.09 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.573 -1.194 . . . . 11.970000000000001 109.733 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . 0.437 ' OXT' ' O ' ' A' ' 471' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.919 -1.039 . . . . 12.970000000000001 110.926 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.513 -1.435 . . . . 1.0 109.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.0 -42.53 99.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.305 . . . . 1.0 110.694 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -63.85 -40.56 96.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.682 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 33.0 p -155.88 160.81 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 1.0 110.658 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 65.7 t-105 -62.21 -46.77 87.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.627 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -97.82 110.79 23.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.807 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.2 p -83.6 164.91 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.42 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -122.61 128.76 51.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.4 p -156.05 161.33 40.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.03 -44.72 97.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.597 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 4.0 tp -120.83 84.96 38.93 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.577 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -61.18 145.97 98.05 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 122.297 1.998 . . . . 1.0 112.049 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.31 -40.45 95.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.483 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -63.98 -35.05 79.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.596 -0.442 . . . . 1.0 111.175 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.23 -45.12 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 120.475 -0.49 . . . . 1.0 110.169 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.62 -41.79 99.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.439 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.95 97.01 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 114.999 -1.0 . . . . 1.0 112.175 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.55 -40.04 95.97 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.58 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.336 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.88 -42.75 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.425 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.37 -43.7 98.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.961 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -59.23 -45.61 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 118.815 -1.154 . . . . 1.0 111.125 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 456' ' ' VAL . 78.9 mt -66.7 -35.86 81.14 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.909 0.385 . . . . 1.0 111.403 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 99.3 m -64.13 -45.55 88.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.39 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 43.3 pt -69.11 -40.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 1.0 111.276 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.88 99.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.488 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 452' ' ' LEU . 72.3 t -65.24 -45.31 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.482 -0.326 . . . . 1.0 111.636 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.07 -42.96 99.78 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.127 -0.629 . . . . 1.0 110.743 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.8 mt -64.17 -41.92 96.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.84 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.05 79.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.568 0.581 . . . . 1.0 112.568 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.5 mp -62.2 -42.76 99.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.387 -0.525 . . . . 1.0 111.975 -178.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -63.98 -44.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.823 -0.751 . . . . 1.0 109.387 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.35 -44.81 95.6 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.496 178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 83.0 m -77.27 -22.41 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.259 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.81 -44.8 97.38 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.596 -1.002 . . . . 1.0 110.596 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.32 -43.2 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 120.698 0.285 . . . . 1.0 110.712 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -72.46 -21.48 61.22 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.387 -0.525 . . . . 1.0 112.178 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 79.77 47.27 7.32 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.463 -0.875 . . . . 1.0 111.652 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.25 -45.22 94.01 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.511 -0.476 . . . . 1.0 110.159 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.46 139.41 51.62 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.334 0.588 . . . . 1.0 111.46 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.86 -40.31 96.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.694 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -59.55 -43.05 93.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.833 -0.622 . . . . 1.0 111.057 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -62.14 -41.78 98.6 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.286 -0.565 . . . . 1.0 109.936 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.365 179.304 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.63 -1.388 . . . . 1.0 109.63 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.43 144.85 50.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.909 0.385 . . . . 1.0 110.552 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -64.46 -39.34 93.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.49 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.1 p -154.48 163.17 40.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 1.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -103.19 144.8 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.687 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.26 -42.65 99.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.546 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 71.0 p -83.57 165.45 19.05 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.755 -0.378 . . . . 1.0 110.4 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -124.28 128.57 49.34 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.256 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 15.0 m -72.55 146.57 46.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.423 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.521 HG23 ' N ' ' A' ' 440' ' ' LEU . 23.6 m -64.33 -42.17 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.826 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.583 ' CD2' HD11 ' A' ' 445' ' ' LEU . 5.3 tp -134.37 77.32 60.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.528 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -61.39 145.28 98.34 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.812 2.341 . . . . 1.0 112.327 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.5 mtt -65.2 -40.02 93.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.378 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -64.49 -35.85 82.27 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.153 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.9 t -62.32 -44.62 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.182 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . 0.583 HD11 ' CD2' ' A' ' 440' ' ' LEU . 90.3 mt -62.52 -41.46 98.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.378 0.609 . . . . 1.0 110.823 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.25 94.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.232 -0.894 . . . . 1.0 112.246 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.22 -41.23 99.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 1.0 111.245 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.7 mt -62.74 -43.42 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 1.0 110.897 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.5 t -61.83 -45.17 99.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.129 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.82 -43.63 97.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 121.184 -0.207 . . . . 1.0 111.032 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -60.49 -47.33 86.6 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.536 -0.866 . . . . 1.0 110.37 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.22 -39.23 92.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.872 0.368 . . . . 1.0 110.638 178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -61.68 -45.79 92.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.631 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 458' ' ' LEU . 97.3 mt -65.01 -42.2 94.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.468 0.652 . . . . 1.0 111.271 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.96 97.53 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.232 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.54 -44.91 96.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.512 0.19 . . . . 1.0 111.512 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.08 -43.25 99.05 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.344 -0.542 . . . . 1.0 110.699 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.414 HD12 HG22 ' A' ' 454' ' ' ILE . 85.4 mt -64.3 -41.33 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 1.0 111.261 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.45 98.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.166 0.508 . . . . 1.0 111.579 -178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.1 mt -62.07 -43.19 99.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.194 -178.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -45.61 91.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 1.0 109.137 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -62.09 -44.82 95.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.241 -0.891 . . . . 1.0 110.578 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 467' ' ' GLY . 80.4 m -76.98 -24.19 52.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.465 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.03 -49.89 64.28 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.69 -0.964 . . . . 1.0 110.69 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.39 -47.13 93.3 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -75.0 -17.45 60.53 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 120.019 -0.672 . . . . 1.0 111.007 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 463' ' ' CYS . . . 78.29 19.61 73.99 Favored Glycine 0 N--CA 1.473 1.153 0 N-CA-C 110.779 -0.928 . . . . 1.0 110.779 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 64.44 119.65 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.71 -0.396 . . . . 1.0 110.392 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.94 -39.53 93.65 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.934 -0.307 . . . . 1.0 110.663 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.05 131.22 54.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.412 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -128.39 147.73 50.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.745 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.11 -39.72 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.483 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.585 179.743 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.629 -1.388 . . . . 1.0 109.629 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.0 -41.92 99.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 1.0 110.584 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.32 -39.69 94.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.651 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 86.2 p -75.4 157.58 33.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.665 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -111.96 144.69 40.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.55 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 436' ' ' THR . 46.3 p-10 -64.66 -35.27 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.299 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.538 ' N ' ' OD1' ' A' ' 435' ' ' ASP . 94.3 m -122.47 128.74 51.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.955 -0.566 . . . . 1.0 109.993 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.36 -41.61 93.67 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.792 -0.363 . . . . 1.0 110.572 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 14.8 m -73.96 143.09 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.655 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.519 HG23 ' N ' ' A' ' 440' ' ' LEU . 22.9 m -64.89 -41.71 92.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.284 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.519 ' N ' HG23 ' A' ' 439' ' ' VAL . 3.7 mt -128.58 163.87 41.94 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 115.683 -0.69 . . . . 1.0 109.666 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -59.72 145.61 97.69 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 121.215 1.277 . . . . 1.0 111.686 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 66.6 mtt -64.01 -40.62 96.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.557 . . . . 1.0 111.356 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -64.77 -37.0 86.12 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.444 -0.502 . . . . 1.0 111.025 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.42 -45.07 98.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 1.0 110.042 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.56 -41.93 99.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.605 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.67 95.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.224 -0.898 . . . . 1.0 112.468 -178.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.78 -41.46 99.26 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.382 -0.826 . . . . 1.0 111.534 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 33.1 mm -62.19 -43.56 98.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 121.084 0.469 . . . . 1.0 110.008 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.82 -44.2 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.926 -0.579 . . . . 1.0 109.917 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.7 -43.31 98.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 120.932 -0.307 . . . . 1.0 110.735 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -60.5 -46.28 90.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 119.016 -1.073 . . . . 1.0 110.598 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 456' ' ' VAL . 53.2 tp -66.09 -40.71 91.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.042 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -63.2 -47.35 82.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 20.8 tt -69.65 -40.21 79.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.048 0.451 . . . . 1.0 111.637 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.87 99.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 1.0 111.481 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.2 t -65.08 -44.87 95.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.465 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.03 -42.98 99.89 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.446 -0.502 . . . . 1.0 111.033 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.22 -41.37 97.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.449 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.382 0.61 . . . . 1.0 111.716 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.464 HD22 ' NH1' ' A' ' 469' ' ' ARG . 90.3 mt -62.36 -43.66 98.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.178 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -67.23 -44.16 80.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.451 -0.5 . . . . 1.0 110.16 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.15 94.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.825 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.2 -20.04 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.177 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.249 -0.977 . . . . 1.0 110.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.1 mm -63.92 -43.84 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.683 0.278 . . . . 1.0 110.783 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -71.34 -20.34 62.18 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.346 -0.542 . . . . 1.0 111.354 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 84.83 24.55 44.98 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.691 -0.766 . . . . 1.0 112.753 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -97.9 7.92 45.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.975 0.416 . . . . 1.0 110.387 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.464 ' NH1' HD22 ' A' ' 460' ' ' LEU . 60.3 ttt85 -61.18 -42.9 99.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.988 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 90.1 mt -105.37 133.67 49.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.462 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -63.9 -38.47 91.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.921 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.73 -43.36 98.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.473 -0.331 . . . . 1.0 110.618 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.051 -0.975 . . . . 1.0 110.454 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.532 -1.427 . . . . 1.0 109.532 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.71 144.22 51.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 1.0 110.426 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -68.81 132.65 47.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 86.9 p -77.4 162.13 27.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.49 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -109.65 137.85 46.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.351 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -69.7 140.37 53.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.759 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 25.5 m -66.1 134.33 52.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.183 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -89.92 111.05 21.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.964 0.412 . . . . 1.0 110.792 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 38.6 t -62.23 -42.95 99.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.95 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.659 ' O ' HD12 ' A' ' 440' ' ' LEU . 29.9 m -63.19 -42.43 96.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.264 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 439' ' ' VAL . 3.3 mp -127.89 80.29 72.32 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-O 121.01 0.434 . . . . 1.0 110.865 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -62.45 147.24 95.19 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.698 2.265 . . . . 1.0 111.652 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.11 -40.35 96.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.377 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -64.49 -35.09 79.81 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.747 -0.381 . . . . 1.0 111.172 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 42.7 t -63.34 -44.06 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-O 121.029 0.442 . . . . 1.0 110.632 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.93 -41.49 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.5 0.667 . . . . 1.0 110.493 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.67 96.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.025 -0.989 . . . . 1.0 111.914 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.97 -39.78 95.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.786 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.24 -41.79 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.82 -44.59 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.114 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.73 -43.49 98.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 121.238 -0.185 . . . . 1.0 111.088 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -60.21 -45.68 92.35 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 119.136 -1.025 . . . . 1.0 110.49 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 456' ' ' VAL . 53.9 tp -66.35 -39.64 89.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.17 178.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.2 m -62.9 -46.94 85.45 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.206 0.447 . . . . 1.0 112.206 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 9.0 tt -68.96 -39.73 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 120.997 0.427 . . . . 1.0 111.548 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.71 98.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.226 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 452' ' ' LEU . 71.6 t -65.02 -45.28 95.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.642 -0.253 . . . . 1.0 111.33 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.3 -43.28 98.3 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.356 -0.537 . . . . 1.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.21 -41.18 97.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.526 -0.761 . . . . 1.0 111.335 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.82 98.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 1.0 111.498 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.8 mt -61.87 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.993 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -45.86 90.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.901 -0.778 . . . . 1.0 108.901 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.64 -44.98 95.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.689 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.3 m -77.58 -22.29 51.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.046 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.76 -50.02 67.73 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.321 -0.942 . . . . 1.0 111.158 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.69 -43.75 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 1.0 110.442 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -73.17 -21.27 60.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.335 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 80.91 21.23 63.72 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.912 -0.661 . . . . 1.0 111.452 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.548 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 80.7 t80 44.65 29.68 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.969 0.414 . . . . 1.0 110.195 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.25 -39.94 96.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.536 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.68 140.52 46.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.423 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -129.41 146.98 51.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.701 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -61.63 -43.28 99.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.345 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.523 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.69 -1.364 . . . . 1.0 109.69 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.99 -42.05 99.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 1.0 110.56 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -64.12 -40.19 95.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.3 t -61.12 -44.13 97.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -59.97 -41.53 92.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.617 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -63.05 -40.93 99.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.112 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 69.6 p -83.02 165.98 19.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.749 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -131.65 144.12 50.79 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.563 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.6 p -75.75 161.02 29.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.727 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.43 -44.87 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.379 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 6.5 mt -87.46 113.58 54.76 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.489 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . 0.407 ' CB ' ' NE1' ' A' ' 443' ' ' TRP . 21.1 Cg_exo -59.79 145.33 98.5 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 121.262 1.308 . . . . 1.0 111.757 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.3 mtp -65.26 -39.99 93.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.848 -0.615 . . . . 1.0 112.438 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.407 ' NE1' ' CB ' ' A' ' 441' ' ' PRO . 68.6 p-90 -60.57 -48.99 79.35 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.79 0.663 . . . . 1.0 112.79 -177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 15.0 p -65.94 -38.31 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 120.238 -0.585 . . . . 1.0 110.361 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.57 -43.15 99.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.566 0.698 . . . . 1.0 110.21 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.61 94.71 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.948 -1.024 . . . . 1.0 112.151 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.43 -42.46 99.47 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.173 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.01 -41.66 91.89 Favored 'Isoleucine or valine' 0 C--O 1.252 1.208 0 CA-C-O 122.308 1.052 . . . . 1.0 110.093 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.42 -47.36 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 CA-C-N 114.853 -1.067 . . . . 1.0 112.357 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 40.2 pt -62.75 -39.07 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.688 -0.632 . . . . 1.0 111.623 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.64 -46.02 91.89 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 118.547 -1.261 . . . . 1.0 110.432 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.56 -39.94 92.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.963 0.411 . . . . 1.0 111.052 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 87.9 m -61.96 -45.55 93.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.681 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 458' ' ' LEU . 94.9 mt -64.72 -43.45 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.327 0.584 . . . . 1.0 111.246 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.95 98.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.081 -0.963 . . . . 1.0 111.508 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.14 -45.15 94.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 121.078 -0.249 . . . . 1.0 111.328 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.38 -43.18 98.34 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.405 HD12 HG22 ' A' ' 454' ' ' ILE . 88.0 mt -64.25 -41.33 97.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.323 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.01 98.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.181 0.515 . . . . 1.0 111.543 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.95 -43.29 99.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.004 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -45.83 90.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.027 -0.731 . . . . 1.0 109.027 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.78 -45.05 95.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.737 179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 85.0 m -77.56 -23.19 50.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.873 0.368 . . . . 1.0 110.103 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.16 -49.46 74.67 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.317 -0.944 . . . . 1.0 111.154 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 31.7 mm -63.75 -43.57 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.736 0.303 . . . . 1.0 110.204 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -73.81 -20.94 60.31 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.623 -0.431 . . . . 1.0 111.288 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 469' ' ' ARG . . . 79.65 20.25 69.06 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.32 -0.712 . . . . 1.0 111.32 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 88.8 t80 46.47 -85.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.505 0.193 . . . . 1.0 110.972 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.625 HH22 ' CA ' ' A' ' 473' ' ' LYS . 78.1 ttt-85 -117.9 116.87 27.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.833 0.349 . . . . 1.0 110.113 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 96.5 mt -100.71 -1.36 35.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.137 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . 0.521 ' O ' ' NH1' ' A' ' 469' ' ' ARG . 85.9 mtp180 -75.14 140.26 43.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 1.0 110.901 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 50.8 ttt85 -63.79 -43.04 97.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.457 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . 0.625 ' CA ' HH22 ' A' ' 469' ' ' ARG . 88.7 tttt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.443 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.511 -1.436 . . . . 1.0 109.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.522 ' O ' ' CD1' ' A' ' 434' ' ' TRP . 98.9 mttt -62.6 -42.1 99.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.698 0.285 . . . . 1.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.86 -39.7 93.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.388 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.446 ' O ' ' O ' ' A' ' 434' ' ' TRP . 78.2 p -67.5 -19.96 65.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 431' ' ' LYS . 96.8 m95 33.54 96.24 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.438 0.461 . . . . 1.0 111.098 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -95.06 111.39 23.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.462 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 18.8 m -62.32 -45.72 91.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.373 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -65.0 139.06 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.128 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.4 p -75.16 160.04 30.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.698 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 73.7 t -63.59 -44.91 98.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.75 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.77 83.12 54.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.558 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . 0.425 ' CB ' ' NE1' ' A' ' 443' ' ' TRP . 22.9 Cg_exo -60.57 144.85 99.57 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.434 2.089 . . . . 1.0 111.985 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.0 mtt -67.37 -38.77 85.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.039 -0.528 . . . . 1.0 112.206 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.513 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 69.3 p-90 -61.76 -48.92 78.5 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.82 -177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.1 p -65.88 -38.1 81.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 120.463 -0.495 . . . . 1.0 110.592 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.33 -42.37 99.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.41 96.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.386 0.612 . . . . 1.0 111.441 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.38 -40.36 97.04 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.462 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.48 -43.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.505 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.1 t -61.64 -44.16 98.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.997 0.427 . . . . 1.0 110.573 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.1 mm -62.3 -42.57 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 119.073 -0.489 . . . . 1.0 111.636 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.65 -44.15 96.75 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 122.145 0.974 . . . . 1.0 109.764 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.11 -34.2 77.52 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 114.052 -1.431 . . . . 1.0 109.37 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 85.5 m -62.17 -42.14 98.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.326 1.06 . . . . 1.0 109.201 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.81 -43.1 96.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.446 -1.252 . . . . 1.0 109.97 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.18 -41.66 75.88 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.164 0.507 . . . . 1.0 109.797 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 70.1 t -63.14 -43.59 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 1.0 110.765 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 91.9 mt -61.22 -41.39 96.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 458' ' ' LEU . 91.3 mt -63.06 -40.21 97.02 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.099 -0.704 . . . . 1.0 109.099 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -56.95 -40.84 77.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.229 -0.896 . . . . 1.0 110.771 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 9.4 mp -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.407 0.622 . . . . 1.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -44.98 89.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.285 -0.87 . . . . 1.0 108.879 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -60.03 -44.51 94.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.507 0.67 . . . . 1.0 109.585 178.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.9 m -69.93 -19.52 63.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.941 -1.027 . . . . 1.0 108.787 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -59.54 -34.48 81.59 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 108.788 -1.725 . . . . 1.0 108.788 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 465' ' ' ILE . 32.2 mm -64.56 -43.05 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 178.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -69.47 -19.5 63.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.358 -0.837 . . . . 1.0 110.729 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 469' ' ' ARG . . . 89.37 10.78 65.34 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.315 -1.114 . . . . 1.0 110.315 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 87.1 t80 44.65 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.84 -0.18 . . . . 1.0 111.117 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.556 ' N ' ' O ' ' A' ' 467' ' ' GLY . 78.1 ttt-85 -124.65 131.05 53.49 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.722 0.296 . . . . 1.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -111.45 130.77 55.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.352 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -64.39 -39.77 94.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.522 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -102.8 136.98 41.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.49 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.938 -1.029 . . . . 1.0 110.564 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 N-CA-C 109.564 -1.414 . . . . 1.0 109.564 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -107.42 146.45 31.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.957 -0.386 . . . . 1.0 109.957 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.8 mtp180 -75.11 146.29 41.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.581 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.9 p -75.25 161.85 28.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.461 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -108.98 143.0 38.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.744 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -90.6 113.68 25.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.518 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 46.3 p -65.46 -33.73 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.673 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -111.33 119.98 40.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.156 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . 0.52 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 14.9 m -72.71 142.74 48.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.865 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 440' ' ' LEU . 24.7 m -65.41 -41.35 90.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.928 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.55 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 5.8 mp -53.84 145.58 31.23 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.197 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.98 -0.28 10.22 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.615 2.21 . . . . 1.0 112.314 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.2 mtp -62.63 -41.31 98.94 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.371 0.508 . . . . 1.0 112.371 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.55 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 68.1 p-90 -65.53 -33.89 76.97 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.014 -0.674 . . . . 1.0 110.463 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.99 -44.34 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 1.0 109.917 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.43 -40.6 97.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.32 -0.854 . . . . 1.0 110.599 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.96 98.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.784 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 443' ' ' TRP . 9.3 mp -62.59 -40.85 98.22 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.862 0.363 . . . . 1.0 110.458 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.09 -43.05 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.055 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.98 -43.31 92.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.304 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 450' ' ' ILE . 33.8 mm -63.43 -43.37 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.459 -0.496 . . . . 1.0 111.212 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -60.59 -45.67 93.12 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 118.976 -1.09 . . . . 1.0 110.559 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 93.2 mt -65.82 -39.58 90.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.86 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 90.0 m -61.87 -45.55 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.586 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.55 -43.4 96.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.358 0.599 . . . . 1.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.19 99.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.742 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.11 -45.23 94.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.564 -0.289 . . . . 1.0 111.551 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.05 -42.96 99.85 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.101 -0.64 . . . . 1.0 110.771 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.22 -41.84 96.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.04 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.243 0.544 . . . . 1.0 112.37 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.85 -43.64 98.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.866 -0.607 . . . . 1.0 111.449 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -66.96 -44.52 80.35 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.156 -0.617 . . . . 1.0 110.144 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.56 92.54 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.872 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -79.51 -18.51 51.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.233 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.26 -44.04 97.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.193 -1.163 . . . . 1.0 110.193 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.72 -43.09 97.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.708 0.289 . . . . 1.0 110.566 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -71.17 -21.2 62.2 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.499 -0.481 . . . . 1.0 111.871 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.66 34.05 23.25 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.42 -0.895 . . . . 1.0 111.799 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -59.43 -45.98 90.04 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.602 -0.439 . . . . 1.0 110.401 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -64.08 -39.56 94.34 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.429 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 53.8 tp -62.55 -42.86 99.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.33 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -62.02 -43.22 99.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.247 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -61.85 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.248 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.997 -1.001 . . . . 1.0 110.527 -179.903 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.569 -1.412 . . . . 1.0 109.569 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.14 -44.88 95.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 1.0 110.396 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 435' ' ' ASP . 84.0 mtt85 -64.22 -39.96 95.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.461 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 61.5 m -60.34 -42.66 96.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.809 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -60.76 -42.78 98.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.476 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 432' ' ' ARG . 54.1 t0 -96.42 112.6 24.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.504 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 98.3 m -117.23 125.9 51.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.945 0.403 . . . . 1.0 110.603 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -174.29 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.794 -0.639 . . . . 1.0 109.364 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 49.2 m -60.56 -39.01 86.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.594 -0.73 . . . . 1.0 111.163 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.519 HG13 ' N ' ' A' ' 440' ' ' LEU . 9.2 p -62.48 -43.88 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 1.0 111.55 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.519 ' N ' HG13 ' A' ' 439' ' ' VAL . 1.6 tp -141.78 70.52 24.79 Favored Pre-proline 0 N--CA 1.463 0.219 0 C-N-CA 120.754 -0.378 . . . . 1.0 111.422 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -62.83 144.93 94.46 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.787 2.324 . . . . 1.0 111.891 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 94.4 mtp -64.8 -40.73 95.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.502 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.443 ' CZ3' HG22 ' A' ' 444' ' ' VAL . 67.4 p-90 -61.75 -31.96 72.18 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.896 -0.322 . . . . 1.0 111.133 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.443 HG22 ' CZ3' ' A' ' 443' ' ' TRP . 38.9 t -61.79 -43.45 97.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.258 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.216 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.61 97.35 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.446 0.641 . . . . 1.0 112.029 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.45 -39.19 93.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.354 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.96 -42.85 96.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.053 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.0 t -63.87 -41.41 92.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.123 0.487 . . . . 1.0 110.704 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.44 -44.83 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.351 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -57.58 -44.9 85.67 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 118.317 -1.353 . . . . 1.0 109.703 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.37 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.447 -1.251 . . . . 1.0 110.3 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 16.6 m -61.32 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.74 0.781 . . . . 1.0 110.175 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.4 -40.76 89.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 N-CA-C 108.493 -0.928 . . . . 1.0 108.493 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -56.02 -41.51 75.04 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 119.881 -0.728 . . . . 1.0 109.89 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.62 -43.35 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.343 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.25 -42.45 98.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.194 -0.602 . . . . 1.0 109.91 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 458' ' ' LEU . 89.1 mt -63.46 -40.86 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.287 0.565 . . . . 1.0 109.701 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.34 -39.59 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.256 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.42 -40.9 98.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.705 -0.679 . . . . 1.0 110.984 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -43.92 87.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.543 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -60.3 -44.28 95.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.445 0.64 . . . . 1.0 109.369 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 81.6 m -69.1 -19.13 64.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.89 -1.05 . . . . 1.0 108.583 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.21 -34.58 80.57 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.784 -1.726 . . . . 1.0 108.784 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.55 -42.79 96.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.26 0.553 . . . . 1.0 109.71 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -69.1 -19.15 64.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.361 -0.836 . . . . 1.0 111.082 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 89.09 20.14 47.49 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.198 -1.161 . . . . 1.0 110.198 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 57.41 106.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 1.0 110.501 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.47 -39.5 93.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.481 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.34 141.89 45.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 33.7 ptt-85 -140.41 153.85 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.623 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -128.93 145.78 51.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.505 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.063 -0.97 . . . . 1.0 110.598 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.57 -1.412 . . . . 1.0 109.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.63 144.04 51.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.79 0.329 . . . . 1.0 110.513 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . 0.45 ' O ' ' OD1' ' A' ' 435' ' ' ASP . 85.5 mtp180 -81.14 142.33 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.657 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 436' ' ' THR . 38.8 t -62.17 -41.34 98.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.908 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 -49.07 -27.77 3.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 1.0 112.59 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' A' ' 436' ' ' THR . 53.6 p-10 -62.47 -34.29 76.54 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.987 -178.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.568 ' N ' ' OD1' ' A' ' 435' ' ' ASP . 64.8 p -132.16 158.26 42.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.752 0.311 . . . . 1.0 110.543 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -113.14 122.32 47.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.803 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 41.8 t -70.48 145.82 50.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.465 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 440' ' ' LEU . 31.1 m -63.4 -42.2 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.344 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.5 ' N ' HG23 ' A' ' 439' ' ' VAL . 1.6 mp -110.36 169.87 5.9 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.63 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -59.57 143.16 99.74 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.417 1.412 . . . . 1.0 111.696 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 77.5 mtm -67.42 -38.6 84.85 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.609 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.423 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 -63.73 -44.93 92.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.491 0.552 . . . . 1.0 112.491 -178.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.423 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.2 p -65.64 -38.55 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 C-N-CA 120.138 -0.625 . . . . 1.0 110.558 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 445' ' ' LEU . 0.4 OUTLIER -62.12 -43.04 99.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.667 0.746 . . . . 1.0 109.43 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.91 -41.7 98.23 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.988 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.17 -41.17 98.07 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.193 -0.912 . . . . 1.0 111.516 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.37 -42.76 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.121 0.486 . . . . 1.0 110.575 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . 0.806 ' O ' HG23 ' A' ' 453' ' ' THR . 79.2 t -61.73 -43.7 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.445 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.88 -43.61 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.302 -0.159 . . . . 1.0 110.73 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -60.94 -46.66 89.79 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 119.139 -1.024 . . . . 1.0 110.688 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 53.1 tp -65.13 -40.48 94.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.443 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.806 HG23 ' O ' ' A' ' 449' ' ' VAL . 51.4 p -62.86 -42.4 99.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.399 -0.52 . . . . 1.0 110.819 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.24 -43.69 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.63 -47.51 85.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.205 -0.907 . . . . 1.0 112.647 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.46 -41.5 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.334 -0.546 . . . . 1.0 111.744 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.0 -43.26 99.27 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.534 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.28 -40.91 96.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.211 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -41.65 97.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.354 0.597 . . . . 1.0 111.329 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.98 -43.26 99.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.113 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -44.35 90.47 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.13 -0.628 . . . . 1.0 109.665 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.41 -45.19 94.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.825 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 70.9 m -75.26 -26.12 58.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.285 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -64.91 -52.64 40.15 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 119.929 -1.129 . . . . 1.0 111.605 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.01 -44.67 97.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 O-C-N 122.718 -0.284 . . . . 1.0 110.868 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -73.94 -21.3 60.08 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.448 -0.501 . . . . 1.0 111.486 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 77.87 16.6 79.76 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.041 -0.824 . . . . 1.0 111.041 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.53 -46.97 88.2 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.965 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.38 -43.13 99.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 1.0 110.353 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 470' ' ' LEU . 11.0 mp -62.71 -41.72 99.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.772 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -75.52 143.59 42.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.639 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -86.83 141.15 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.59 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.924 -1.036 . . . . 1.0 110.6 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 109.585 -1.406 . . . . 1.0 109.585 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -127.08 145.51 50.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.84 0.352 . . . . 1.0 110.494 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.48 -39.67 94.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.553 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 97.5 p -157.73 162.36 38.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.567 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -59.34 -41.14 88.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 435' ' ' ASP . 44.9 p-10 -97.52 109.1 21.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.713 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.8 m -123.26 128.39 49.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.52 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -66.63 136.84 56.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.28 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.0 p -75.85 160.29 30.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.645 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 67.9 t -63.47 -45.06 98.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.699 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 1.8 tp -140.79 81.95 16.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.914 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . 0.474 ' O ' HG22 ' A' ' 444' ' ' VAL . 22.2 Cg_exo -60.58 145.05 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.544 0 C-N-CA 122.405 2.07 . . . . 1.0 111.883 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 78.0 mtm -65.18 -38.05 89.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.025 -0.534 . . . . 1.0 112.042 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.451 ' NE1' ' CB ' ' A' ' 441' ' ' PRO . 68.6 p-90 -59.06 -29.46 67.33 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.736 0.643 . . . . 1.0 112.736 -177.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 441' ' ' PRO . 2.0 m -63.76 -40.21 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 C-N-CA 119.68 -0.808 . . . . 1.0 109.951 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . 0.443 ' N ' ' CG2' ' A' ' 444' ' ' VAL . 54.2 tp -62.75 -41.93 99.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.429 0.633 . . . . 1.0 110.757 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.36 92.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.181 -0.918 . . . . 1.0 112.045 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.24 -41.26 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.107 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.69 -42.84 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.737 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.37 -44.23 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.359 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 92.4 mt -62.93 -43.65 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 121.231 -0.188 . . . . 1.0 110.985 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.76 -46.42 90.54 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 118.632 -1.227 . . . . 1.0 110.322 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.89 -39.69 93.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.427 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 86.9 m -61.98 -45.71 92.46 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.421 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.25 -40.73 87.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 122.247 1.023 . . . . 1.0 110.575 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.43 96.2 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.539 -1.21 . . . . 1.0 110.443 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.33 -44.67 97.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 C-N-CA 120.483 -0.487 . . . . 1.0 111.403 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.6 mt -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 119.771 -0.772 . . . . 1.0 111.024 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.26 -40.76 96.66 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.784 -0.643 . . . . 1.0 111.24 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.89 -42.64 98.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.298 0.57 . . . . 1.0 111.548 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.1 mt -61.94 -43.87 97.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.9 -178.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -46.97 79.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.127 0.489 . . . . 1.0 109.796 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -62.21 -45.5 93.09 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.258 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.35 -19.55 49.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.888 0.375 . . . . 1.0 110.089 179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.74 -50.19 59.9 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.479 -0.867 . . . . 1.0 111.524 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 466' ' ' TYR . 20.4 tt -66.94 -41.4 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.926 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.473 ' N ' HG23 ' A' ' 465' ' ' ILE . 30.1 m-85 -76.22 -21.29 56.58 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.251 -0.58 . . . . 1.0 111.315 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 78.82 12.17 84.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.402 ' O ' ' C ' ' A' ' 469' ' ' ARG . 91.4 t80 -72.43 132.27 43.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.723 0.297 . . . . 1.0 111.06 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.67 HH12 ' NH1' ' A' ' 471' ' ' ARG . 77.9 ttt-85 35.64 79.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.817 -0.628 . . . . 1.0 111.018 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 40.0 tp -112.99 125.9 54.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.397 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . 0.67 ' NH1' HH12 ' A' ' 469' ' ' ARG . 91.0 mtm-85 -86.4 141.41 29.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.495 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.31 145.84 51.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.605 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.508 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 109.754 -1.338 . . . . 1.0 109.754 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -69.08 139.01 54.79 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.128 -0.323 . . . . 1.0 110.128 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -60.14 -43.11 95.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.004 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 10.8 p -73.73 160.54 31.38 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.654 -0.418 . . . . 1.0 110.538 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 49.6 m0 -102.21 146.73 27.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.136 -0.484 . . . . 1.0 109.919 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -63.11 -38.8 92.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 70.8 p -134.23 156.52 48.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.488 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.62 -41.03 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.796 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 46.5 t -156.49 153.81 29.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.559 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.4 -44.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.952 0.406 . . . . 1.0 110.065 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.5 mt -130.07 78.38 74.87 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.414 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . 0.488 ' O ' HG12 ' A' ' 444' ' ' VAL . 21.6 Cg_exo -61.42 145.42 98.12 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.667 2.245 . . . . 1.0 112.64 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 65.6 ttp -67.26 -38.76 85.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.788 -0.642 . . . . 1.0 112.108 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.446 ' NE1' ' CB ' ' A' ' 441' ' ' PRO . 67.3 p-90 -59.64 -39.76 85.44 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.487 0.921 . . . . 1.0 113.487 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 441' ' ' PRO . 15.0 p -63.9 -37.73 80.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.561 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.8 tp -63.16 -40.92 98.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 1.0 110.06 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.85 85.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.61 -1.177 . . . . 1.0 112.152 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.03 -37.08 84.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.643 0.735 . . . . 1.0 110.688 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 89.2 mt -65.01 -43.11 96.14 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.804 -0.758 . . . . 1.0 110.502 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.03 -44.81 95.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.619 -1.173 . . . . 1.0 110.524 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 32.3 mm -62.83 -43.62 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 O-C-N 121.955 -0.466 . . . . 1.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -59.73 -45.61 91.66 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.739 -1.185 . . . . 1.0 110.179 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.75 -39.62 91.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.415 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 89.5 m -61.77 -45.93 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.056 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 30.7 mm -64.66 -43.61 96.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.228 0.537 . . . . 1.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.217 -0.901 . . . . 1.0 111.629 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.36 -45.22 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 121.046 -0.262 . . . . 1.0 111.287 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.02 98.75 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.313 -0.555 . . . . 1.0 110.826 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.4 mt -64.2 -41.47 97.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.701 . . . . 1.0 111.397 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.97 98.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.245 0.545 . . . . 1.0 111.665 -178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 88.8 mt -62.04 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.119 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -65.21 -43.81 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.486 -0.486 . . . . 1.0 109.755 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -62.01 -45.14 94.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.785 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 75.6 m -77.48 -21.66 52.48 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.961 -0.385 . . . . 1.0 109.961 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -63.17 -50.84 59.73 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.279 -0.962 . . . . 1.0 110.719 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.423 ' O ' ' OXT' ' A' ' 473' ' ' LYS . 94.8 mt -63.4 -43.35 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.747 0.308 . . . . 1.0 110.286 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.445 ' O ' ' O ' ' A' ' 472' ' ' ARG . 24.1 m-85 -71.61 -20.91 61.92 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.378 -0.529 . . . . 1.0 111.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 83.19 23.96 53.25 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.517 -0.849 . . . . 1.0 111.699 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 471' ' ' ARG . 86.4 m-85 56.81 177.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.168 0.509 . . . . 1.0 110.946 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -60.79 -32.86 72.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.46 -40.75 95.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.311 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 468' ' ' TYR . 80.7 mtp85 -124.53 139.77 53.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.056 0.455 . . . . 1.0 111.03 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 466' ' ' TYR . 41.8 ttm180 -63.21 -42.79 99.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.637 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . 0.423 ' OXT' ' O ' ' A' ' 465' ' ' ILE . 64.1 mttp . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.047 -0.978 . . . . 1.0 110.513 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.557 -1.417 . . . . 1.0 109.557 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -127.04 144.83 50.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.789 0.328 . . . . 1.0 110.57 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -63.94 -40.0 95.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.534 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 36.0 t -138.3 145.25 41.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.515 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -60.57 -39.4 87.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.517 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -95.8 109.71 21.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.411 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.6 m -65.07 131.83 47.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.657 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.31 137.1 55.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.408 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 86.3 p -75.22 158.27 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.556 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.73 -44.88 98.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.622 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 38.3 tp -128.41 82.16 69.14 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.479 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . 0.46 ' O ' HG12 ' A' ' 444' ' ' VAL . 49.7 Cg_exo -54.46 -33.66 78.48 Favored 'Trans proline' 0 N--CA 1.497 1.723 0 C-N-CA 122.77 2.313 . . . . 1.0 112.207 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.4 mtt -61.41 -5.37 1.67 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.835 -0.621 . . . . 1.0 111.656 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.568 ' CG ' ' N ' ' A' ' 444' ' ' VAL . 31.0 p-90 -55.92 -41.51 74.69 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.363 -0.535 . . . . 1.0 109.876 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.568 ' N ' ' CG ' ' A' ' 443' ' ' TRP . 12.3 p -63.53 -38.07 81.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.531 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . 0.431 ' N ' HG13 ' A' ' 444' ' ' VAL . 92.3 mt -62.69 -40.3 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.496 0.665 . . . . 1.0 110.738 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.23 99.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.968 -1.015 . . . . 1.0 112.402 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.58 -40.5 97.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.713 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.8 m -64.63 -37.14 79.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.652 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 450' ' ' ILE . 35.2 mm -64.87 -44.6 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 120.144 -0.622 . . . . 1.0 110.169 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -56.55 -46.11 80.86 Favored 'General case' 0 C--O 1.246 0.876 0 C-N-CA 118.933 -1.107 . . . . 1.0 111.007 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 51.8 tp -66.25 -35.64 80.94 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.96 0.41 . . . . 1.0 111.46 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.8 m -63.46 -45.21 91.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.449 -179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . 0.415 HG22 HD12 ' A' ' 458' ' ' LEU . 96.7 mt -64.13 -43.32 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.667 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.27 99.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.259 -0.882 . . . . 1.0 111.575 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.95 -45.12 95.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.311 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.07 -43.17 99.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.67 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.415 HD12 HG22 ' A' ' 454' ' ' ILE . 87.4 mt -64.77 -40.3 95.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.235 179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.45 -43.1 99.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.459 0.647 . . . . 1.0 111.342 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.4 mt -61.93 -43.63 98.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.315 -0.857 . . . . 1.0 110.964 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -66.86 -44.4 81.05 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.543 -0.463 . . . . 1.0 110.037 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -62.55 -45.41 93.08 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.782 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 467' ' ' GLY . 0.7 OUTLIER -79.54 -17.99 52.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.983 0.421 . . . . 1.0 109.934 179.053 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -64.61 -50.63 57.93 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 120.653 -0.784 . . . . 1.0 111.464 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 466' ' ' TYR . 20.5 tt -67.13 -41.41 86.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.474 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.467 ' N ' HG23 ' A' ' 465' ' ' ILE . 31.4 m-85 -76.76 -20.72 56.16 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.476 -0.49 . . . . 1.0 110.953 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 80.94 15.83 76.44 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.443 ' O ' ' O ' ' A' ' 467' ' ' GLY . 90.7 t80 56.39 120.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.034 0.445 . . . . 1.0 111.045 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -75.12 144.88 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.477 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.41 141.4 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.574 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -64.38 -39.8 94.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.477 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.54 -39.74 94.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.431 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.462 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.543 -1.423 . . . . 1.0 109.543 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.26 -44.37 96.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.694 0.283 . . . . 1.0 110.528 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -75.01 144.32 43.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.762 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.1 p -62.35 -34.72 77.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.505 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -111.42 146.17 37.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.625 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -89.37 112.41 23.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.812 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 57.9 p -110.04 3.93 20.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.332 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.53 -36.87 85.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.909 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 41.4 t -63.59 141.25 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 1.0 110.469 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 440' ' ' LEU . 29.9 m -63.93 -42.38 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.989 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.501 ' N ' HG23 ' A' ' 439' ' ' VAL . 4.6 mt -105.65 149.76 38.29 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.546 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' A' ' 443' ' ' TRP . 38.3 Cg_endo -67.97 -16.54 45.45 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.798 2.332 . . . . 1.0 112.292 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.2 mtt -50.72 -5.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 1.0 112.5 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.45 ' H ' ' C ' ' A' ' 441' ' ' PRO . 64.8 p-90 -59.74 -37.75 79.82 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.957 -0.697 . . . . 1.0 109.819 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.437 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 7.8 p -65.34 -35.14 74.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.49 -0.484 . . . . 1.0 110.804 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . 0.434 ' CD2' HG13 ' A' ' 444' ' ' VAL . 3.1 mm? -62.08 -41.76 98.52 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.44 0.638 . . . . 1.0 110.534 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.74 88.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 114.752 -1.113 . . . . 1.0 112.012 -177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.04 -41.41 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.184 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.6 mt -61.99 -40.09 86.06 Favored 'Isoleucine or valine' 0 C--O 1.253 1.286 0 CA-C-O 122.489 1.138 . . . . 1.0 109.507 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.15 -43.56 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.225 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.047 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 39.6 mm -63.51 -44.54 98.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.542 -0.463 . . . . 1.0 109.882 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -58.77 -47.28 85.24 Favored 'General case' 0 N--CA 1.461 0.111 0 C-N-CA 119.061 -1.056 . . . . 1.0 110.351 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.8 mt -64.83 -40.24 94.87 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.106 0.479 . . . . 1.0 110.815 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 91.8 m -61.63 -44.9 96.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.996 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.67 -44.83 89.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 122.084 0.945 . . . . 1.0 110.884 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -58.86 -44.15 90.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.709 -1.132 . . . . 1.0 111.678 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 75.3 t -65.13 -45.44 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.46 -43.49 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.425 -0.51 . . . . 1.0 110.991 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.6 -41.55 96.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.744 -0.662 . . . . 1.0 111.419 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.14 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 1.0 111.791 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 464' ' ' GLY . 90.0 mt -61.71 -43.5 98.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.208 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -65.49 -43.99 88.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.698 179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.76 -45.41 94.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.421 -0.808 . . . . 1.0 110.62 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.84 -19.93 54.02 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.741 -0.466 . . . . 1.0 109.741 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -61.69 -44.01 98.49 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.72 -43.64 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.388 179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -76.46 -20.31 57.15 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.26 -0.576 . . . . 1.0 111.3 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.28 17.88 68.13 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.197 -0.525 . . . . 1.0 112.187 179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -108.87 44.64 1.11 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.862 0.363 . . . . 1.0 110.878 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -64.18 -39.58 94.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.35 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.28 142.13 45.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.625 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -101.76 137.5 39.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.493 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -64.28 -39.41 93.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.53 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.953 -1.022 . . . . 1.0 110.558 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.478 -1.449 . . . . 1.0 109.478 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.0 -41.94 99.72 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -68.02 134.4 50.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.458 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.6 p -75.84 161.16 29.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.608 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -112.44 145.55 39.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.583 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -93.82 112.36 24.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.477 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.1 p -82.32 166.13 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.622 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -66.25 -38.71 88.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.184 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 31.9 p -153.49 162.62 41.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.695 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.519 HG23 ' N ' ' A' ' 440' ' ' LEU . 24.7 m -63.95 -42.24 95.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.799 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.519 ' N ' HG23 ' A' ' 439' ' ' VAL . 0.8 OUTLIER -87.54 148.41 44.12 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.525 -179.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.49 122.27 8.14 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.108 1.872 . . . . 1.0 112.457 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 74.2 mtm -65.69 -39.21 91.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.705 -0.68 . . . . 1.0 111.673 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -60.25 -33.54 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.286 0.476 . . . . 1.0 112.286 -177.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.9 -44.69 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.474 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.14 -40.76 98.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.628 0.727 . . . . 1.0 110.691 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.03 -41.75 98.43 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.803 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.5 -40.86 98.07 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.682 -0.69 . . . . 1.0 110.925 -178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.56 -43.26 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.402 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 74.9 t -61.01 -42.08 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.4 -43.75 98.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 O-C-N 122.093 -0.379 . . . . 1.0 110.752 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -59.71 -45.8 91.06 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 118.854 -1.138 . . . . 1.0 110.814 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' ' 456' ' ' VAL . 78.2 mt -66.3 -37.98 86.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 1.0 111.417 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 96.3 m -63.82 -46.93 82.91 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.74 -0.664 . . . . 1.0 112.117 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 454' ' ' ILE . 6.4 tp -68.67 -39.87 80.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 121.051 0.453 . . . . 1.0 111.17 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 454' ' ' ILE . . . -62.15 -42.59 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.48 -0.782 . . . . 1.0 111.339 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 452' ' ' LEU . 70.4 t -65.09 -45.45 94.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 121.016 -0.274 . . . . 1.0 111.425 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.33 -43.35 97.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.907 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.49 -41.28 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.58 -0.736 . . . . 1.0 111.292 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.16 99.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.257 0.551 . . . . 1.0 111.619 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -61.83 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.188 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -65.06 -44.18 89.84 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.374 -0.531 . . . . 1.0 109.695 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -63.05 -44.81 94.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.569 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 467' ' ' GLY . 82.2 m -76.35 -22.56 54.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.135 -0.484 . . . . 1.0 109.849 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.73 -48.82 78.29 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 120.325 -0.94 . . . . 1.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.62 -43.74 98.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-O 120.714 0.293 . . . . 1.0 110.463 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -76.0 -20.38 57.9 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 469' ' ' ARG . . . 80.75 20.06 66.65 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.234 -0.746 . . . . 1.0 111.234 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 87.7 t80 51.3 8.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.298 . . . . 1.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 467' ' ' GLY . 85.2 mtp180 -128.17 146.45 50.71 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.408 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 89.5 mt -109.04 131.85 54.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.585 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -101.18 137.76 39.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.465 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -74.11 144.24 45.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.531 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.933 -1.032 . . . . 1.0 110.533 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.52 -1.432 . . . . 1.0 109.52 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.07 -44.88 95.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 1.0 110.536 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -102.06 135.68 43.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 434' ' ' TRP . 16.1 m -72.85 146.96 45.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.489 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 434' ' ' TRP . 30.6 m0 57.95 127.78 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.697 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -90.74 111.27 22.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.453 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 47.2 p -66.25 -33.64 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.695 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -121.26 139.96 52.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.495 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 11.9 p -154.59 162.34 41.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.547 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.491 HG13 ' N ' ' A' ' 440' ' ' LEU . 9.9 p -63.36 -42.14 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.733 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.491 ' N ' HG13 ' A' ' 439' ' ' VAL . 1.4 tp -129.7 79.28 73.83 Favored Pre-proline 0 CA--C 1.531 0.216 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.892 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 444' ' ' VAL . 21.2 Cg_exo -61.07 146.78 97.24 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.463 2.108 . . . . 1.0 111.851 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 77.8 mtm -66.55 -36.48 82.77 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.737 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.448 ' CZ3' HG12 ' A' ' 444' ' ' VAL . 69.2 p-90 -63.16 -36.45 83.66 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 112.756 0.65 . . . . 1.0 112.756 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 441' ' ' PRO . 18.1 m -65.2 -38.51 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 119.309 -0.956 . . . . 1.0 110.441 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.66 -42.74 99.78 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.657 0.741 . . . . 1.0 110.54 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.85 97.69 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 114.843 -1.071 . . . . 1.0 112.097 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.92 -40.58 95.97 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.91 -42.02 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.585 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.41 -44.22 98.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.865 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 43.5 mm -63.01 -43.77 99.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 122.085 -0.385 . . . . 1.0 111.058 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -59.3 -46.51 88.38 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 118.912 -1.115 . . . . 1.0 110.257 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.691 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 23.5 m -62.28 -45.71 92.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.028 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 458' ' ' LEU . 95.7 mt -64.58 -43.55 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.259 0.552 . . . . 1.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.67 -42.82 99.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.629 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.93 -45.31 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.75 -0.204 . . . . 1.0 111.46 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.34 -43.34 98.01 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.911 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . 0.403 HD12 HG22 ' A' ' 454' ' ' ILE . 87.3 mt -64.43 -41.36 96.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.674 -0.694 . . . . 1.0 111.493 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.71 99.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.174 0.511 . . . . 1.0 111.646 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 464' ' ' GLY . 89.0 mt -62.06 -44.24 97.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.648 -0.706 . . . . 1.0 110.999 -178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -46.85 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.395 0.617 . . . . 1.0 109.663 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -61.79 -45.66 92.91 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.47 -0.786 . . . . 1.0 111.234 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -18.68 49.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.011 0.434 . . . . 1.0 110.165 179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -62.78 -46.33 93.87 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.603 -0.808 . . . . 1.0 111.217 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 466' ' ' TYR . 20.4 tt -66.53 -39.51 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.475 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.416 ' N ' HG23 ' A' ' 465' ' ' ILE . 44.9 m-85 -73.53 -20.85 60.55 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.13 -0.628 . . . . 1.0 111.522 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 82.93 24.74 51.85 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.809 -0.71 . . . . 1.0 112.356 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -101.1 9.95 41.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.707 0.289 . . . . 1.0 111.18 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 54.2 ptt85 -63.33 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.649 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . 0.43 ' CD2' ' O ' ' A' ' 472' ' ' ARG . 39.4 tp -111.85 127.23 55.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.234 179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.61 -43.45 98.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.368 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.43 ' O ' ' CD2' ' A' ' 470' ' ' LEU . 76.6 ttt180 -124.88 131.72 53.4 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.902 0.382 . . . . 1.0 110.807 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.607 179.728 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 433' ' ' SER . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.443 -1.463 . . . . 1.0 109.443 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.42 -42.02 98.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.835 0.35 . . . . 1.0 110.726 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.63 -40.12 94.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.704 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 430' ' ' GLY . 31.0 t -117.01 131.29 56.99 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.961 0.41 . . . . 1.0 111.108 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -59.95 -38.56 82.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.61 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.79 108.02 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.477 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.779 ' O ' HG22 ' A' ' 439' ' ' VAL . 69.9 p -84.93 165.68 17.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.791 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.523 ' OE2' ' CZ2' ' A' ' 443' ' ' TRP . 83.3 tt0 -69.49 -33.58 73.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.794 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 60.1 m -58.97 -40.23 84.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.597 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 436' ' ' THR . 22.9 m -62.26 -23.19 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.644 -0.422 . . . . 1.0 111.242 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.428 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 6.2 mt -114.23 83.87 8.69 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.551 -0.295 . . . . 1.0 111.115 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.61 10.23 3.78 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 123.077 2.518 . . . . 1.0 112.105 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 61.6 mtt -63.18 -40.43 97.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.274 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.523 ' CZ2' ' OE2' ' A' ' 437' ' ' GLU . 68.0 p-90 -63.81 -34.84 78.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.311 -0.556 . . . . 1.0 110.082 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.44 HG23 ' CE2' ' A' ' 443' ' ' TRP . 76.8 t -63.0 -44.84 99.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-O 121.198 0.523 . . . . 1.0 109.952 178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 90.3 mt -62.48 -41.4 98.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 1.0 111.08 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.53 97.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.663 . . . . 1.0 111.424 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.83 -41.01 97.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.327 -0.851 . . . . 1.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.92 -43.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.149 -177.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 17.5 m -64.57 -38.32 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.501 -0.48 . . . . 1.0 111.232 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.2 -43.34 98.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 CA-C-O 119.316 -0.373 . . . . 1.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -59.42 -45.64 90.97 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 119.151 -1.019 . . . . 1.0 110.096 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.05 -36.07 83.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.352 -1.295 . . . . 1.0 110.504 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.1 m -60.74 -44.59 96.48 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.339 0.59 . . . . 1.0 109.432 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.85 -40.43 87.01 Favored 'Isoleucine or valine' 0 C--O 1.241 0.64 0 CA-C-O 121.953 0.882 . . . . 1.0 109.413 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.9 83.27 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 118.31 -1.356 . . . . 1.0 109.742 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 63.5 t -64.97 -41.72 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.509 -0.769 . . . . 1.0 109.622 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.36 -42.13 99.16 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.076 -0.649 . . . . 1.0 109.567 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -40.95 98.78 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.791 178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.04 -39.78 79.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.159 -0.928 . . . . 1.0 110.325 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.36 -40.74 97.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -59.09 -43.39 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.415 -0.811 . . . . 1.0 109.462 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.5 -44.51 95.92 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.234 -0.654 . . . . 1.0 109.234 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 82.3 m -69.53 -19.17 63.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.876 -1.056 . . . . 1.0 108.713 177.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -59.54 -34.13 79.94 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 108.766 -1.734 . . . . 1.0 108.766 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.73 -42.96 93.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -69.36 -19.22 63.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.352 -0.84 . . . . 1.0 110.586 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 90.22 14.37 58.98 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.341 -1.104 . . . . 1.0 110.341 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.424 ' O ' ' O ' ' A' ' 467' ' ' GLY . 85.6 t80 57.79 121.14 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.029 0.442 . . . . 1.0 111.007 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -73.26 143.34 47.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.597 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 91.1 mt -98.36 130.92 45.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.301 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.72 -38.3 90.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.92 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.69 -38.48 91.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.905 -179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.481 -179.703 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.548 -1.421 . . . . 1.0 109.548 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -126.89 144.81 50.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.738 0.304 . . . . 1.0 110.463 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -130.43 148.02 52.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 433' ' ' SER . 0.4 OUTLIER 48.84 24.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.845 179.752 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -59.28 -42.08 90.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.597 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -67.41 140.13 57.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.411 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 4.1 t -145.59 155.86 43.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.709 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.52 138.96 57.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.286 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 31.6 p -153.6 162.08 41.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 1.0 110.762 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 440' ' ' LEU . 10.1 p -63.61 -41.59 93.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.692 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 2.4 mm? -28.46 93.85 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.403 0 O-C-N 123.806 0.691 . . . . 1.0 111.52 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.16 1.4 8.43 Favored 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 122.66 2.24 . . . . 1.0 112.445 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.5 mmm -62.63 -41.36 98.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.888 -179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.528 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 68.6 p-90 -66.33 -34.29 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.897 -0.721 . . . . 1.0 110.093 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.29 -44.76 99.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.227 0.537 . . . . 1.0 109.881 179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.24 -41.57 98.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.618 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.22 95.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.914 -0.584 . . . . 1.0 112.04 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 443' ' ' TRP . 9.4 mp -63.67 -39.37 94.17 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.123 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.71 -43.27 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.43 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.8 -42.71 95.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.732 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.36 -43.77 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 120.59 -0.444 . . . . 1.0 110.04 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -57.95 -45.09 87.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 119.253 -0.979 . . . . 1.0 109.862 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.88 -37.85 89.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.478 -1.237 . . . . 1.0 110.49 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 17.7 m -60.43 -43.19 97.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 1.0 109.754 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.6 -42.59 96.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.111 -0.949 . . . . 1.0 110.033 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -54.17 -38.38 65.51 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.046 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.19 -43.16 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.599 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.47 -42.3 98.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 119.76 -0.776 . . . . 1.0 110.336 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.65 -40.47 96.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 1.0 110.125 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.66 83.73 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.302 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.47 -40.59 97.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.983 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -58.68 -43.34 89.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.499 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.5 -44.46 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.55 0.691 . . . . 1.0 109.365 178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 80.2 m -69.26 -19.58 63.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.612 -1.176 . . . . 1.0 108.632 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -58.44 -32.71 69.02 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 108.605 -1.798 . . . . 1.0 108.605 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.03 -42.54 96.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.23 0.538 . . . . 1.0 109.632 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -67.95 -19.11 64.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.36 -0.836 . . . . 1.0 110.939 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 90.71 15.21 57.03 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.449 ' CE2' ' O ' ' A' ' 469' ' ' ARG . 91.1 t80 -66.13 134.97 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.842 0.353 . . . . 1.0 110.479 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.449 ' O ' ' CE2' ' A' ' 468' ' ' TYR . 60.6 ttt85 -66.57 135.12 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.399 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 95.2 mt -74.2 142.4 45.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.524 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . 0.53 ' NH1' ' O ' ' A' ' 473' ' ' LYS . 71.5 ttp85 -113.09 112.08 23.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.8 -41.93 91.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.992 -0.549 . . . . 1.0 111.312 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . 0.53 ' O ' ' NH1' ' A' ' 471' ' ' ARG . 98.8 mttt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.938 -1.03 . . . . 1.0 110.742 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.464 -1.455 . . . . 1.0 109.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 434' ' ' TRP . 98.8 mttt -63.34 -42.01 98.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.775 0.321 . . . . 1.0 110.499 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.04 -39.73 93.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.869 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.5 p -61.94 -35.92 79.86 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.141 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . 0.44 ' O ' ' O ' ' A' ' 431' ' ' LYS . 99.3 m95 -108.1 141.3 40.02 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.182 0.515 . . . . 1.0 111.274 -179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -65.87 -38.97 90.23 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.568 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 44.9 p -131.68 165.22 24.19 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.606 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -55.26 143.99 26.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.282 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 85.7 p -73.57 162.22 29.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.853 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 440' ' ' LEU . 70.8 t -62.82 -44.68 99.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.086 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 443' ' ' TRP . 10.7 mp -27.62 92.52 0.05 OUTLIER Pre-proline 0 N--CA 1.467 0.377 0 O-C-N 123.807 0.692 . . . . 1.0 111.486 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . 0.808 ' O ' HG12 ' A' ' 444' ' ' VAL . 89.2 Cg_endo -88.05 5.93 5.16 Favored 'Trans proline' 0 C--N 1.313 -1.314 0 C-N-CA 122.889 2.393 . . . . 1.0 112.622 -179.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 67.2 mtt -63.66 -38.76 92.32 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.178 0.436 . . . . 1.0 112.178 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.516 ' CD1' ' O ' ' A' ' 440' ' ' LEU . 64.5 p-90 -59.43 -22.33 61.32 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.698 0.629 . . . . 1.0 112.698 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.808 HG12 ' O ' ' A' ' 441' ' ' PRO . 9.0 p -61.53 -31.73 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 C-N-CA 120.062 -0.655 . . . . 1.0 110.187 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.96 -42.55 99.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 1.0 110.641 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.49 98.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.157 -0.928 . . . . 1.0 112.023 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.75 -39.82 95.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 1.0 111.627 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.49 -42.56 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-O 121.419 0.628 . . . . 1.0 110.552 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 72.0 t -61.47 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.258 -0.883 . . . . 1.0 110.493 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.49 -44.3 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 122.155 -0.341 . . . . 1.0 110.716 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -59.62 -46.29 89.4 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 118.972 -1.091 . . . . 1.0 110.378 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.97 -39.5 93.57 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.767 178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 93.7 m -62.22 -46.05 90.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.464 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 34.2 mm -65.7 -41.88 91.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.443 0.64 . . . . 1.0 110.884 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.09 -45.27 95.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.535 -0.757 . . . . 1.0 111.433 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.49 -45.94 94.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.327 0.491 . . . . 1.0 112.327 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.48 -44.53 94.13 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.111 -0.635 . . . . 1.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.95 -40.3 94.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.969 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.35 -42.26 98.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.432 0.634 . . . . 1.0 111.316 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 464' ' ' GLY . 88.7 mt -62.23 -43.84 97.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.331 -0.85 . . . . 1.0 110.914 -178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -66.64 -44.41 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.951 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.47 -45.67 91.96 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 115.866 -0.607 . . . . 1.0 110.626 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 467' ' ' GLY . 0.8 OUTLIER -78.92 -18.33 54.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 1.0 109.982 179.127 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -65.77 -51.48 46.3 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.495 -0.86 . . . . 1.0 111.25 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.47 HG23 ' N ' ' A' ' 466' ' ' TYR . 20.4 tt -66.28 -41.67 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 C-N-CA 120.682 -0.407 . . . . 1.0 110.265 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.47 ' N ' HG23 ' A' ' 465' ' ' ILE . 26.8 m-85 -75.22 -20.67 59.14 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.157 -0.617 . . . . 1.0 110.443 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 468' ' ' TYR . . . 80.57 12.57 82.78 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.309 -0.716 . . . . 1.0 111.309 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.492 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 88.6 t80 56.9 155.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 1.0 110.676 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.492 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 63.0 ttm-85 -67.42 133.72 50.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.217 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 93.2 mt -75.07 141.11 43.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.553 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -64.59 -39.59 94.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.485 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -62.05 -43.18 99.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.237 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.416 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.529 -1.429 . . . . 1.0 109.529 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -141.13 151.1 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 1.0 110.803 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . 0.53 ' NH2' HG23 ' A' ' 436' ' ' THR . 36.1 ptt180 -140.57 153.42 46.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 78.0 p -63.15 -36.22 82.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.138 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -87.69 102.23 14.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.795 0.331 . . . . 1.0 110.721 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -95.32 110.34 22.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.737 ' O ' HG12 ' A' ' 439' ' ' VAL . 47.5 p -65.94 -32.21 73.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.383 179.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.88 -17.58 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.273 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 78.4 p -59.42 -33.17 70.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.343 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 436' ' ' THR . 14.5 p -63.75 -37.87 80.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.646 -0.422 . . . . 1.0 110.525 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . . . . . . . . . 5.9 mt -131.23 79.23 70.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.248 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -61.25 145.56 98.38 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.676 2.251 . . . . 1.0 112.092 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 65.1 ttp -62.89 -41.37 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.833 -0.621 . . . . 1.0 111.148 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -63.97 -36.15 83.02 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.489 -0.485 . . . . 1.0 111.276 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.32 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.45 -0.5 . . . . 1.0 110.197 178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.83 -41.61 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.302 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.92 98.87 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.454 -0.794 . . . . 1.0 112.588 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.09 -41.21 99.35 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.348 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.29 -43.18 97.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 121.142 0.496 . . . . 1.0 110.847 -178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . . . . . . . . . 67.3 t -63.64 -36.77 77.65 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 CA-C-O 122.388 1.089 . . . . 1.0 110.449 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.39 -42.8 87.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.153 -0.967 . . . . 1.0 110.111 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -60.84 -45.85 92.86 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 118.885 -1.126 . . . . 1.0 109.961 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.78 -39.77 94.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.787 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 95.6 m -61.43 -46.52 89.74 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.398 -0.521 . . . . 1.0 111.226 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 40.7 mm -65.49 -41.71 91.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 122.627 1.203 . . . . 1.0 109.934 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.09 97.05 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 114.576 -1.193 . . . . 1.0 110.77 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.28 -44.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.846 0.314 . . . . 1.0 111.846 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.91 -42.86 99.93 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.784 -0.766 . . . . 1.0 110.526 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 87.7 mt -64.33 -41.6 96.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -58.65 -50.03 75.35 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.61 0.596 . . . . 1.0 112.61 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 464' ' ' GLY . 10.2 mp -61.93 -42.94 99.68 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.397 -0.521 . . . . 1.0 111.999 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . 0.569 ' NH1' HD11 ' A' ' 465' ' ' ILE . 0.0 OUTLIER -62.15 -46.14 90.33 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.912 -0.774 . . . . 1.0 108.912 179.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.19 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.231 -0.895 . . . . 1.0 110.6 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 467' ' ' GLY . 83.8 m -76.61 -22.25 54.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.13 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 460' ' ' LEU . . . -63.96 -51.53 52.62 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.276 -0.964 . . . . 1.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.569 HD11 ' NH1' ' A' ' 461' ' ' ARG . 46.1 mm -63.16 -44.73 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.979 0.418 . . . . 1.0 109.932 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -75.4 -20.67 58.78 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.26 -0.576 . . . . 1.0 110.838 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 463' ' ' CYS . . . 79.66 18.82 72.3 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.222 -0.751 . . . . 1.0 111.222 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 469' ' ' ARG . 81.7 t80 59.07 148.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.718 0.294 . . . . 1.0 110.321 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . 0.525 ' O ' ' CD2' ' A' ' 468' ' ' TYR . 99.9 mtt180 -75.11 141.8 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.738 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . . . . . . . . . 4.7 mp -112.67 131.18 55.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.331 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -75.17 143.35 43.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.521 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -64.58 -39.61 94.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.522 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.9 tttp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.535 -179.987 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 430' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.555 -1.418 . . . . 1.0 109.555 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -126.87 145.0 50.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.678 0.275 . . . . 1.0 110.486 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 432' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -128.79 145.11 51.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.578 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 11.3 p -76.41 162.73 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 434' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -108.31 142.8 38.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.366 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.4 -42.53 99.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.813 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 94.2 m -123.79 127.79 48.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.828 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -137.25 -27.55 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.124 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 438' ' ' SER . . . . . . . . . . . . . 52.4 m -60.82 -40.83 94.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 1.0 111.008 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 439' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 440' ' ' LEU . 68.0 t -62.27 -45.37 98.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.052 -179.223 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 440' ' ' LEU . . . . . 0.535 ' O ' ' NE1' ' A' ' 443' ' ' TRP . 3.0 tp -28.7 94.0 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.57 0.544 . . . . 1.0 111.31 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 439' ' ' VAL . 78.2 Cg_endo -84.24 -2.07 9.96 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.693 2.262 . . . . 1.0 113.158 -179.038 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 442' ' ' MET . . . . . . . . . . . . . 98.4 mmm -63.89 -42.04 97.56 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.222 0.452 . . . . 1.0 112.222 -178.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 443' ' ' TRP . . . . . 0.539 ' CD2' ' N ' ' A' ' 444' ' ' VAL . 68.2 p-90 -67.33 -48.2 68.24 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 119.963 -0.695 . . . . 1.0 111.816 -178.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 444' ' ' VAL . . . . . 0.539 ' N ' ' CD2' ' A' ' 443' ' ' TRP . 1.4 p -65.32 -37.32 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.789 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 445' ' ' LEU . . . . . . . . . . . . . 52.7 tp -61.39 -41.94 97.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.327 0.584 . . . . 1.0 110.349 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.15 86.35 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.599 -178.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 447' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.43 -40.53 97.42 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.163 -179.494 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 448' ' ' ILE . . . . . . . . . . . . . 48.0 mm -61.2 -43.74 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 N-CA-C 111.826 0.306 . . . . 1.0 111.826 179.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 449' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 453' ' ' THR . 55.5 t -61.59 -40.05 85.23 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 122.177 0.989 . . . . 1.0 110.779 -177.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.88 -43.97 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 CA-C-N 115.476 -0.784 . . . . 1.0 109.456 179.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 118.949 -1.1 . . . . 1.0 110.606 -178.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 88.4 mt -67.02 -39.43 87.05 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.547 -179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 449' ' ' VAL . 28.5 p -63.34 -41.67 98.89 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.185 -0.606 . . . . 1.0 111.259 -178.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 454' ' ' ILE . . . . . . . . . . . . . 95.7 mt -65.57 -43.47 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.609 . . . . 1.0 111.162 -179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 455' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.65 88.33 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.085 -0.961 . . . . 1.0 112.863 -177.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.09 -42.0 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.415 -0.514 . . . . 1.0 111.824 -179.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.06 -43.49 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 119.998 -0.681 . . . . 1.0 110.684 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 88.0 mt -64.36 -41.46 96.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.644 -0.707 . . . . 1.0 111.529 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.39 98.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.256 0.55 . . . . 1.0 111.749 -178.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.01 -43.44 98.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.961 -178.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -66.09 -43.89 85.99 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 462' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -62.35 -45.29 93.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.054 179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 463' ' ' CYS . . . . . . . . . . . . . 71.2 m -78.43 -20.79 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.885 0.374 . . . . 1.0 110.093 179.388 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 464' ' ' GLY . . . . . . . . . . . . . . . -62.17 -48.86 80.01 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.375 -0.917 . . . . 1.0 110.882 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 465' ' ' ILE . . . . . 0.521 ' O ' ' NH2' ' A' ' 472' ' ' ARG . 44.1 pt -66.34 -41.51 89.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 122.803 -0.234 . . . . 1.0 111.2 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 466' ' ' TYR . . . . . 0.441 ' O ' ' O ' ' A' ' 470' ' ' LEU . 27.5 m-85 -72.38 -21.3 61.31 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.327 -0.549 . . . . 1.0 111.62 -179.784 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 467' ' ' GLY . . . . . . . . . . . . . . . 83.45 22.61 56.13 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 120.746 -0.74 . . . . 1.0 111.663 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 468' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 56.37 -108.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.409 . . . . 1.0 111.409 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 469' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.58 -39.18 93.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.958 -179.392 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 470' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 466' ' ' TYR . 92.5 mt -73.27 140.13 46.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.682 -179.586 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 471' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -130.66 145.98 52.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.526 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . 0.521 ' NH2' ' O ' ' A' ' 465' ' ' ILE . 90.8 mtm-85 -129.29 145.55 51.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.574 179.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 473' ' ' LYS . . . . . . . . . . . . . 63.4 pttt . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.073 -0.965 . . . . 1.0 110.768 179.998 . . . . . . . . 0 0 . 1 stop_ save_