data_2kes_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 2kes _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 532' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 CA--C 1.524 -0.031 0 CA-C-O 121.034 0.445 . . . . 2.61 110.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 537' ' ' VAL . 27.2 m -70.5 -47.71 59.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.047 -0.524 . . . . 0.59 111.225 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . 0.46 ' HA ' HG23 ' A' ' 537' ' ' VAL . 28.2 m -62.11 -39.45 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 N-CA-C 111.824 0.305 . . . . 0.41 111.824 -176.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.12 -37.08 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.747 -0.381 . . . . 0.81 110.427 177.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -68.82 -44.5 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 1.73 111.155 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 534' ' ' VAL . 31.8 m -65.7 -38.83 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.828 0.346 . . . . 0.59 110.145 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.43 ' N ' HG22 ' A' ' 537' ' ' VAL . 68.4 m -65.53 -37.85 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.807 -0.633 . . . . 0.51 110.86 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.13 -46.36 81.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.359 -0.608 . . . . 0.65 109.359 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.37 -31.0 72.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.15 -0.477 . . . . 2.26 110.472 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.163 -0.471 . . . . 1.86 110.046 174.468 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--O 1.225 -0.196 0 N-CA-C 109.928 -0.397 . . . . 2.61 109.928 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.443 ' O ' HG12 ' A' ' 537' ' ' VAL . 36.7 m -65.59 -45.84 81.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.335 . . . . 0.59 111.03 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . 0.484 ' HA ' HG23 ' A' ' 537' ' ' VAL . 35.6 m -66.13 -38.64 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 111.781 0.289 . . . . 0.41 111.781 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.3 -33.34 67.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.59 -0.444 . . . . 0.81 110.213 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.9 OUTLIER -71.5 -40.52 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.73 111.561 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.484 HG23 ' HA ' ' A' ' 534' ' ' VAL . 32.8 m -65.66 -39.26 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.152 0.501 . . . . 0.59 109.774 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.444 ' N ' HG22 ' A' ' 537' ' ' VAL . 82.5 m -62.43 -37.83 87.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 0.51 110.265 174.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.6 -42.11 92.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.552 -0.536 . . . . 0.65 109.552 174.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 34.3 mm-40 -62.13 -33.22 74.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.435 -0.348 . . . . 2.26 110.791 175.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 C--N 1.322 -0.6 0 CA-C-O 121.201 0.524 . . . . 1.86 109.89 174.638 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.225 -0.185 0 CA-C-O 120.57 0.224 . . . . 2.61 110.626 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 31.9 m -64.78 -46.36 82.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.488 -0.324 . . . . 0.59 111.086 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.14 -39.53 85.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 121.039 -0.264 . . . . 0.41 111.3 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.71 -32.64 65.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.613 -0.435 . . . . 0.81 110.326 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 2.8 tmm_? -67.03 -46.92 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 1.73 111.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 538' ' ' THR . 30.0 m -65.06 -39.5 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.151 0.501 . . . . 0.59 110.23 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.441 ' N ' HG22 ' A' ' 537' ' ' VAL . 95.2 m -65.86 -38.28 88.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.51 110.495 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.08 -43.14 96.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.071 -0.513 . . . . 0.65 109.74 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 15.0 mm100 -58.45 -36.73 74.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.573 -0.285 . . . . 2.26 110.941 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 47.3 t30 . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.402 0.62 . . . . 1.86 110.05 175.783 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.195 0 N-CA-C 109.073 -0.714 . . . . 2.61 109.073 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 24.5 m -72.06 -47.49 51.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.765 -0.652 . . . . 0.59 111.32 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . 0.416 ' HA ' HG23 ' A' ' 537' ' ' VAL . 26.7 m -62.55 -38.9 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.644 0.239 . . . . 0.41 111.644 -176.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.55 -35.04 67.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.81 0.338 . . . . 0.81 110.466 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -67.62 -45.59 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.282 -0.417 . . . . 1.73 110.96 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 538' ' ' THR . 28.1 m -63.43 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.078 0.466 . . . . 0.59 110.067 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.456 ' N ' HG22 ' A' ' 537' ' ' VAL . 74.2 m -63.27 -40.26 96.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.645 -0.707 . . . . 0.51 110.94 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.71 -44.73 85.23 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.373 -0.603 . . . . 0.65 109.373 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.52 -26.2 68.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.434 . . . . 2.26 110.931 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 109.65 -0.5 . . . . 1.86 109.65 175.731 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' A' ' 535' ' ' GLU . 33.6 tt0 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.074 0.464 . . . . 2.61 110.642 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.446 HG23 HH21 ' A' ' 536' ' ' ARG . 57.5 m -73.4 -38.81 65.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.363 -0.381 . . . . 0.59 111.567 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . 0.558 ' HA ' HG23 ' A' ' 537' ' ' VAL . 27.2 m -64.32 -39.12 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 120.628 -0.429 . . . . 0.41 111.245 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 532' ' ' GLN . 0.0 OUTLIER -71.26 -31.69 67.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.159 0.504 . . . . 0.81 110.222 175.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . 0.446 HH21 HG23 ' A' ' 533' ' ' THR . 5.3 tmm_? -70.1 -45.08 67.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.597 -0.728 . . . . 1.73 111.188 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.558 HG23 ' HA ' ' A' ' 534' ' ' VAL . 29.0 m -66.34 -39.0 83.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.59 110.04 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.467 ' N ' HG22 ' A' ' 537' ' ' VAL . 52.1 m -58.94 -37.2 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.885 -0.598 . . . . 0.51 110.782 175.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.52 -43.57 89.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.503 -0.554 . . . . 0.65 109.503 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -65.33 -29.48 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 2.26 110.457 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 109.589 -0.523 . . . . 1.86 109.589 175.033 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.779 0.323 . . . . 2.61 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 34.8 m -75.27 -45.56 39.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.612 -0.267 . . . . 0.59 111.502 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 27.2 m -60.48 -40.27 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.844 -0.342 . . . . 0.41 111.312 -176.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -73.29 -36.65 66.33 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.51 -0.476 . . . . 0.81 110.7 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -65.79 -45.35 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.659 -0.246 . . . . 1.73 111.381 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 538' ' ' THR . 27.8 m -64.73 -39.26 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.59 110.153 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 537' ' ' VAL . 69.4 m -63.79 -38.67 91.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.51 110.744 175.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.48 -43.03 91.49 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.691 -0.485 . . . . 0.65 109.691 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.79 -31.7 72.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.906 0.384 . . . . 2.26 110.755 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.017 -0.538 . . . . 1.86 109.806 173.625 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.226 -0.182 0 CA-C-O 121.068 0.461 . . . . 2.61 110.22 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.5 m -66.3 -46.51 76.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.59 111.153 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 32.6 m -63.88 -39.45 85.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.801 0.297 . . . . 0.41 111.801 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.36 -33.64 65.18 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.332 -0.547 . . . . 0.81 110.538 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 8.6 tmm_? -68.11 -43.02 79.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.813 -0.176 . . . . 1.73 111.154 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 538' ' ' THR . 29.2 m -65.44 -39.5 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.218 0.532 . . . . 0.59 110.026 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 537' ' ' VAL . 93.5 m -64.35 -38.38 90.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 0.51 110.151 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.03 -39.31 91.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.671 -0.492 . . . . 0.65 109.671 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.3 mm100 -58.67 -37.77 76.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.219 -0.446 . . . . 2.26 110.843 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 1.86 109.946 176.202 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 121.127 0.489 . . . . 2.61 110.358 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 25.2 m -72.57 -45.47 59.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.004 -0.543 . . . . 0.59 111.347 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 28.9 m -62.59 -39.0 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 111.726 0.269 . . . . 0.41 111.726 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.47 -34.8 67.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.706 -0.398 . . . . 0.81 110.3 176.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.5 tmm_? -68.71 -44.91 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 1.73 111.178 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.425 HG22 ' N ' ' A' ' 538' ' ' THR . 28.7 m -65.36 -39.11 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.043 0.449 . . . . 0.59 110.295 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.425 ' N ' HG22 ' A' ' 537' ' ' VAL . 76.8 m -65.94 -38.97 90.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.774 -0.648 . . . . 0.51 110.829 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.07 -45.91 91.44 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.264 -0.643 . . . . 0.65 109.264 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 84.6 mm-40 -63.83 -27.91 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 2.26 111.221 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.297 -0.411 . . . . 1.86 110.132 174.81 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.788 0.328 . . . . 2.61 110.134 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.9 m -69.28 -48.36 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.019 -0.537 . . . . 0.59 111.114 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . 0.407 ' HA ' HG23 ' A' ' 537' ' ' VAL . 27.5 m -64.58 -39.02 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.828 0.307 . . . . 0.41 111.828 -176.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.73 -33.31 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.675 -0.41 . . . . 0.81 110.295 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.51 -47.02 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 1.73 111.07 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 538' ' ' THR . 24.6 m -63.35 -39.63 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.59 110.131 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 537' ' ' VAL . 97.8 m -65.05 -38.41 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.51 110.82 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.38 -44.18 75.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.621 -0.511 . . . . 0.65 109.621 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -61.8 -32.66 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.155 -0.475 . . . . 2.26 110.742 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 . . . . . 0 C--N 1.325 -0.482 0 N-CA-C 109.493 -0.558 . . . . 1.86 109.493 175.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.781 0.324 . . . . 2.61 110.644 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.464 HG23 ' NH2' ' A' ' 536' ' ' ARG . 29.7 m -70.54 -48.25 56.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.352 -0.385 . . . . 0.59 111.033 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.52 -39.52 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 111.916 0.339 . . . . 0.41 111.916 -175.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.48 -32.45 64.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.921 -0.487 . . . . 0.81 110.73 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . 0.464 ' NH2' HG23 ' A' ' 533' ' ' THR . 5.8 tmm_? -68.44 -45.35 72.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 1.73 111.15 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 538' ' ' THR . 32.3 m -62.64 -39.72 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.128 0.489 . . . . 0.59 109.978 177.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.472 ' N ' HG22 ' A' ' 537' ' ' VAL . 86.6 m -63.59 -37.49 87.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.62 -0.718 . . . . 0.51 110.683 175.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.14 -44.49 88.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.492 -0.559 . . . . 0.65 109.492 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . 0.771 HE21 ' HA ' ' A' ' 540' ' ' GLN . 0.0 OUTLIER -63.76 -32.93 74.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 2.26 110.514 176.349 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.86 110.098 174.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.836 0.351 . . . . 2.61 110.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 32.8 m -73.21 -44.67 59.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.498 -0.319 . . . . 0.59 111.153 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . 0.415 ' HA ' HG23 ' A' ' 537' ' ' VAL . 26.9 m -62.85 -38.38 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 121.153 -0.219 . . . . 0.41 111.35 -178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.61 -36.29 70.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.718 -0.393 . . . . 0.81 110.309 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -66.87 -43.89 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 1.73 111.009 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 538' ' ' THR . 31.6 m -65.04 -38.91 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.59 110.124 176.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.423 ' N ' HG22 ' A' ' 537' ' ' VAL . 75.2 m -64.21 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.756 -0.656 . . . . 0.51 111.06 176.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.78 -44.23 96.74 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.239 -0.652 . . . . 0.65 109.239 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -64.48 -31.59 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 2.26 110.583 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 8.8 t30 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.872 -0.603 . . . . 1.86 109.981 175.235 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.781 0.324 . . . . 2.61 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 45.0 m -70.3 -45.71 65.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.439 -0.346 . . . . 0.59 111.281 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 34.9 m -63.04 -40.18 88.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 121.025 -0.27 . . . . 0.41 111.67 -175.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 536' ' ' ARG . 4.6 pt-20 -72.61 -36.77 68.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.388 -0.525 . . . . 0.81 110.373 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 535' ' ' GLU . 7.2 tmm_? -66.63 -44.28 82.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.73 111.365 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 538' ' ' THR . 32.8 m -66.98 -39.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.59 110.298 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.411 ' N ' HG22 ' A' ' 537' ' ' VAL . 30.8 m -63.92 -37.8 88.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 0.51 110.741 175.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.02 -44.11 96.87 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.6 -0.519 . . . . 0.65 109.6 177.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.75 -34.61 78.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.05 -0.523 . . . . 2.26 110.767 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 . . . . . 0 C--N 1.326 -0.419 0 N-CA-C 109.626 -0.509 . . . . 1.86 109.626 174.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 110.083 -0.34 . . . . 2.61 110.083 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 537' ' ' VAL . 50.2 m -67.79 -43.91 78.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.36 -0.382 . . . . 0.59 111.677 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.41 -40.65 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 120.571 -0.452 . . . . 0.41 111.635 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.85 -32.96 65.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.538 -0.465 . . . . 0.81 110.282 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.1 OUTLIER -69.82 -41.92 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.73 111.724 -179.184 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 538' ' ' THR . 33.1 m -65.37 -39.84 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.264 0.554 . . . . 0.59 109.85 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.472 ' N ' HG22 ' A' ' 537' ' ' VAL . 95.0 m -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.517 -0.765 . . . . 0.51 110.294 174.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.84 -44.53 80.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.733 -0.667 . . . . 0.65 109.776 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.0 mm100 -58.37 -33.36 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 2.26 110.971 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.17 0.509 . . . . 1.86 109.937 175.186 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.183 0.516 . . . . 2.61 110.145 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.1 m -70.59 -46.96 62.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.787 -0.642 . . . . 0.59 111.094 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . 0.551 ' HA ' HG23 ' A' ' 537' ' ' VAL . 28.9 m -63.25 -39.28 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 111.732 0.271 . . . . 0.41 111.732 -176.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.42 -34.07 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.81 110.45 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -71.69 -46.14 59.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.445 . . . . 1.73 111.119 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 534' ' ' VAL . 32.1 m -64.29 -39.23 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.928 -0.397 . . . . 0.59 109.928 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.457 ' N ' HG22 ' A' ' 537' ' ' VAL . 48.2 m -60.88 -42.57 98.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.675 -0.693 . . . . 0.51 110.821 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.504 -0.554 . . . . 0.65 109.504 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -61.82 -33.75 74.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 2.26 110.669 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 66.2 t30 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 1.86 109.968 177.516 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.98 0.419 . . . . 2.61 110.342 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.3 m -69.86 -44.87 68.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.59 111.622 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.13 -40.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.858 -0.337 . . . . 0.41 111.623 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.91 -32.88 65.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.951 -0.468 . . . . 0.81 110.379 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' ARG . . . . . 0.496 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.3 tmm_? -67.53 -45.83 74.58 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.617 -0.265 . . . . 1.73 111.015 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 538' ' ' THR . 32.3 m -62.31 -39.74 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.141 0.496 . . . . 0.59 110.01 177.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' THR . . . . . 0.465 ' N ' HG22 ' A' ' 537' ' ' VAL . 89.6 m -63.87 -38.58 91.62 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.51 110.472 175.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.8 -42.4 86.02 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.886 -0.597 . . . . 0.65 109.8 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 14.6 mm100 -61.9 -34.15 75.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 2.26 110.744 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 1.86 109.628 175.541 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 512' ' ' VAL . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 111.773 -0.531 . . . . 9.39 111.773 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 22.7 t 73.1 -28.92 0.19 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.66 0.784 . . . . 7.62 112.326 176.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . 0.433 ' H ' ' C ' ' A' ' 510' ' ' GLY . 5.0 p -57.08 -44.46 83.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 111.958 0.355 . . . . 6.73 111.958 -176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -37.16 86.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.84 0.352 . . . . 7.4 111.004 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 35.2 m -74.95 -47.83 27.55 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.083 -0.508 . . . . 6.06 110.933 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.48 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 43.4 t -69.12 -34.44 75.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.791 -0.64 . . . . 5.37 110.943 -176.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 49.5 ttm -59.71 -34.52 73.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.602 0.239 . . . . 6.19 110.707 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 16.6 m -69.75 -49.21 55.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.901 0.382 . . . . 4.85 110.932 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 515' ' ' CYS . 2.5 pp -67.94 -41.31 82.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.865 0.364 . . . . 4.21 111.486 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.5 95.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.88 -0.6 . . . . 3.16 111.448 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' SER . . . . . 0.424 ' HA ' ' HB ' ' A' ' 523' ' ' VAL . 37.5 p -66.06 -36.88 84.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.505 -0.478 . . . . 3.2 110.654 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -61.92 -44.65 96.35 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.774 -0.371 . . . . 3.88 110.06 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 518' ' ' LEU . 89.9 t -58.98 -39.47 78.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 2.62 110.025 173.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . 0.621 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.7 t -60.92 -39.74 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.618 -0.719 . . . . 2.34 111.137 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 528' ' ' GLN . 2.0 mptm? -60.02 -45.01 94.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.693 0.282 . . . . 2.88 110.602 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 9.7 mp -65.38 -48.22 73.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.47 -0.332 . . . . 2.03 111.226 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 523' ' ' VAL . 10.7 t -65.87 -32.95 74.75 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.948 -0.301 . . . . 1.96 110.52 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . 0.527 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 17.0 tppt? -63.07 -48.63 77.85 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.552 -0.295 . . . . 2.19 110.441 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 524' ' ' LYS . 22.6 mt-30 -64.92 -37.19 86.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 2.9 110.812 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 96.3 mt -60.99 -46.08 92.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.147 0.498 . . . . 1.24 110.312 176.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -64.21 -42.22 96.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.769 -0.651 . . . . 3.31 110.898 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 527' ' ' LYS . 47.4 mt-10 -62.37 -44.97 95.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.86 -0.154 . . . . 1.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.65 -38.52 88.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.034 0.445 . . . . 2.61 110.155 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 537' ' ' VAL . 27.2 m -70.5 -47.71 59.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.047 -0.524 . . . . 0.59 111.225 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 531' ' ' GLU . 28.2 m -62.11 -39.45 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 N-CA-C 111.824 0.305 . . . . 0.41 111.824 -176.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.8 pt-20 -72.12 -37.08 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.747 -0.381 . . . . 0.81 110.427 177.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -68.82 -44.5 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 1.73 111.155 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 534' ' ' VAL . 31.8 m -65.7 -38.83 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.828 0.346 . . . . 0.59 110.145 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.457 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 68.4 m -65.53 -37.85 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.807 -0.633 . . . . 0.51 110.86 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.13 -46.36 81.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.359 -0.608 . . . . 0.65 109.359 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.37 -31.0 72.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.15 -0.477 . . . . 2.26 110.472 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' A' ' 545' ' ' GLN . 27.2 t-20 -64.61 -42.55 95.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.163 -0.471 . . . . 1.86 110.046 174.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 538' ' ' THR . 53.2 mt-30 -63.63 -38.86 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 2.66 109.829 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.5 tt -67.5 -32.62 73.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 0.7 109.934 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.504 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 6.7 tt0 -62.58 -45.91 90.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 2.24 109.51 174.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 541' ' ' ASN . 69.7 mt-30 -60.87 -36.07 78.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.971 -0.559 . . . . 2.6 109.872 174.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.546 ' O ' ' HG2' ' A' ' 550' ' ' GLN . 1.6 t80 -67.35 -50.94 57.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.56 -0.746 . . . . 1.95 110.876 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.8 pp -64.63 -35.44 81.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.738 0.304 . . . . 1.18 110.227 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.47 -45.83 92.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.574 . . . . 2.23 111.053 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.52 75.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.988 0.423 . . . . 1.35 110.702 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 546' ' ' PHE . 15.2 mm100 -68.36 -47.57 67.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.241 0.543 . . . . 2.85 110.427 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -20.03 61.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.822 -0.626 . . . . 2.86 109.929 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.518 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 68.7 m -68.03 -28.11 67.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.308 -0.406 . . . . 2.23 110.43 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -81.78 -36.16 28.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.17 0.509 . . . . 2.55 109.946 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.84 -31.09 70.02 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.477 -0.783 . . . . 2.98 112.579 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 61.5 pttt -78.55 -7.56 57.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.236 0.541 . . . . 4.05 110.6 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 19.9 t -99.18 161.07 13.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.607 -0.724 . . . . 3.67 109.95 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--O 1.244 0.768 0 CA-C-O 118.574 -0.727 . . . . 6.19 109.632 179.048 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.767 -0.533 . . . . 9.39 111.767 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 70.2 m -153.72 84.75 1.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.017 0.437 . . . . 7.62 110.31 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.25 -54.01 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.095 -0.502 . . . . 6.73 109.809 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -39.71 92.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.417 -0.81 . . . . 7.4 110.447 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' THR . . . . . 0.459 ' O ' ' HG ' ' A' ' 518' ' ' LEU . 0.8 OUTLIER -69.31 -46.61 66.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.159 -0.473 . . . . 6.06 110.882 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.405 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 40.6 t -62.15 -39.78 93.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 5.37 110.65 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 42.6 ttm -62.36 -41.56 98.7 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.85 -0.34 . . . . 6.19 110.507 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 46.4 t -66.75 -47.98 70.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 4.85 110.854 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.515 ' O ' HG22 ' A' ' 522' ' ' VAL . 2.7 pp -67.11 -40.76 86.92 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.806 -0.358 . . . . 4.21 111.626 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.23 96.87 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.241 0.338 . . . . 3.16 111.205 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 49.9 m -63.88 -40.0 95.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.319 -0.252 . . . . 3.2 110.319 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . 0.447 ' O ' HD12 ' A' ' 525' ' ' LEU . 20.8 mm-40 -65.67 -38.34 89.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.689 -0.232 . . . . 3.88 110.42 176.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 518' ' ' LEU . 89.2 t -61.1 -40.35 85.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.019 0.437 . . . . 2.62 109.864 173.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . 0.567 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.5 t -62.41 -41.09 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.851 -0.613 . . . . 2.34 111.05 176.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.51 -41.45 93.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.974 0.416 . . . . 2.88 110.437 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 521' ' ' GLN . 5.9 mp -64.02 -48.56 75.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 2.03 110.795 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' THR . . . . . 0.567 HG22 ' HA ' ' A' ' 523' ' ' VAL . 7.6 t -64.37 -33.57 76.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.987 -0.285 . . . . 1.96 110.281 -178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.01 -50.43 68.53 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.984 0.421 . . . . 2.19 110.207 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.36 -47.82 63.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.71 -0.677 . . . . 2.9 110.824 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.47 -47.0 68.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.03 0.382 . . . . 1.24 112.03 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -60.9 -48.73 80.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.675 0.274 . . . . 3.31 110.606 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.57 ' HA ' HG23 ' A' ' 534' ' ' VAL . 31.9 mt-10 -71.36 -34.22 70.26 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.141 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -61.34 -38.0 85.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.928 -0.397 . . . . 2.61 109.928 172.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.443 ' O ' HG12 ' A' ' 537' ' ' VAL . 36.7 m -65.59 -45.84 81.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.335 . . . . 0.59 111.03 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.57 HG23 ' HA ' ' A' ' 531' ' ' GLU . 35.6 m -66.13 -38.64 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 111.781 0.289 . . . . 0.41 111.781 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 10.8 pt-20 -72.3 -33.34 67.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.59 -0.444 . . . . 0.81 110.213 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.9 OUTLIER -71.5 -40.52 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.73 111.561 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.484 HG23 ' HA ' ' A' ' 534' ' ' VAL . 32.8 m -65.66 -39.26 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.152 0.501 . . . . 0.59 109.774 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.444 ' N ' HG22 ' A' ' 537' ' ' VAL . 82.5 m -62.43 -37.83 87.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 0.51 110.265 174.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . 0.644 ' HA ' HE21 ' A' ' 542' ' ' GLN . 1.8 tm? -65.6 -42.11 92.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.552 -0.536 . . . . 0.65 109.552 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 34.3 mm-40 -62.13 -33.22 74.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.435 -0.348 . . . . 2.26 110.791 175.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 544' ' ' GLN . 44.8 t30 -63.48 -42.91 98.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.201 0.524 . . . . 1.86 109.89 174.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.644 HE21 ' HA ' ' A' ' 539' ' ' LEU . 49.8 mt-30 -63.87 -39.03 93.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.605 -0.725 . . . . 2.66 109.965 175.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.1 tt -67.75 -32.14 72.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.686 . . . . 0.7 110.244 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.615 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 9.0 tt0 -60.78 -46.17 91.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 2.24 110.144 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -60.11 -37.27 79.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.568 0.699 . . . . 2.6 110.019 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.454 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.0 t80 -68.01 -46.01 72.47 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.191 -0.913 . . . . 1.95 111.648 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.4 pp -64.9 -35.22 80.44 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.106 -0.371 . . . . 1.18 110.704 176.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.03 -36.75 77.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.271 -0.422 . . . . 2.23 111.095 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.95 86.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 1.35 110.225 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -60.63 -37.26 80.87 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.095 0.474 . . . . 2.85 110.434 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 73.8 mmtt -67.82 -43.41 79.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.083 -0.508 . . . . 2.86 110.229 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.483 ' HA ' ' HE3' ' A' ' 555' ' ' LYS . 16.7 m -72.66 -46.17 55.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.614 . . . . 2.23 111.399 -177.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.96 -34.69 62.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.011 0.434 . . . . 2.55 110.831 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.16 -41.5 92.24 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.931 -0.577 . . . . 2.98 112.437 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.483 ' HE3' ' HA ' ' A' ' 552' ' ' SER . 19.5 pttp -69.91 -20.73 63.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.801 0.334 . . . . 4.05 110.871 178.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 33.2 t -72.38 130.62 41.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.029 0.442 . . . . 3.67 110.712 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 58.0 tp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.746 -0.645 . . . . 6.19 109.595 179.603 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.441 0 N-CA-C 111.889 -0.484 . . . . 9.39 111.889 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 16.2 m -92.36 -65.96 0.96 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.834 0.35 . . . . 7.62 111.602 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 62.7 t -99.75 -54.98 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.457 0.54 . . . . 6.73 112.457 -171.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -47.93 76.85 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.73 0.641 . . . . 7.4 112.73 -168.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' THR . . . . . 0.423 ' O ' ' HG ' ' A' ' 518' ' ' LEU . 9.7 p -66.15 -47.83 72.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.705 0.288 . . . . 6.06 111.511 -176.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 17.8 m -64.51 -37.04 86.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.099 -0.5 . . . . 5.37 110.507 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.2 -42.48 96.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 6.19 110.751 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 49.7 m -66.62 -46.73 74.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.672 -0.24 . . . . 4.85 111.617 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 522' ' ' VAL . 2.5 pp -65.36 -38.84 91.26 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.691 -0.404 . . . . 4.21 111.361 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.35 91.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.455 -0.338 . . . . 3.16 110.619 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 48.4 m -63.94 -37.7 88.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 3.2 110.301 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -61.95 -46.05 90.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.124 -0.489 . . . . 3.88 109.756 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 518' ' ' LEU . 88.8 t -58.57 -41.15 81.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.03 -0.532 . . . . 2.62 110.326 175.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.65 -40.08 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.653 -0.703 . . . . 2.34 110.77 178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -65.25 -38.47 90.42 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.204 -0.199 . . . . 2.88 110.918 175.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 7.9 mp -63.33 -49.27 74.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.677 0.275 . . . . 2.03 110.765 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 6.7 t -66.83 -34.41 77.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 1.96 110.494 -177.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -64.19 -48.23 76.73 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.049 0.452 . . . . 2.19 110.117 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.34 -37.56 87.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.626 -0.715 . . . . 2.9 110.956 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.4 mt -60.99 -47.0 88.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.533 0.206 . . . . 1.24 111.014 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -61.84 -48.65 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 3.31 111.297 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.16 -35.76 78.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.827 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -63.86 -39.59 94.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.451 -0.34 . . . . 2.61 110.626 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 31.9 m -64.78 -46.36 82.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.488 -0.324 . . . . 0.59 111.086 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.14 -39.53 85.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 121.039 -0.264 . . . . 0.41 111.3 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.71 -32.64 65.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.613 -0.435 . . . . 0.81 110.326 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 2.8 tmm_? -67.03 -46.92 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 1.73 111.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 538' ' ' THR . 30.0 m -65.06 -39.5 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.151 0.501 . . . . 0.59 110.23 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.441 ' N ' HG22 ' A' ' 537' ' ' VAL . 95.2 m -65.86 -38.28 88.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.51 110.495 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.08 -43.14 96.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.071 -0.513 . . . . 0.65 109.74 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 15.0 mm100 -58.45 -36.73 74.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.573 -0.285 . . . . 2.26 110.941 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -63.65 -46.0 87.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.402 0.62 . . . . 1.86 110.05 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -64.38 -41.32 96.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.715 -0.675 . . . . 2.66 110.142 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.785 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 7.9 tt -67.24 -32.77 74.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.7 110.623 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.468 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 47.9 tt0 -59.69 -45.61 91.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.5 -0.556 . . . . 2.24 109.5 174.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.52 -35.97 78.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.632 -0.713 . . . . 2.6 110.288 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.785 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.0 t80 -62.47 -49.44 75.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.627 -0.715 . . . . 1.95 111.375 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.6 pp -64.74 -39.52 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.815 0.34 . . . . 1.18 110.591 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -61.53 -37.7 84.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 2.23 110.691 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.56 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 1.35 110.243 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 546' ' ' PHE . 85.5 mm-40 -59.39 -33.7 71.53 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.951 0.405 . . . . 2.85 110.975 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 74.9 mmtt -62.56 -53.57 52.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.085 -0.507 . . . . 2.86 110.344 175.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 48.6 m -65.95 -36.1 82.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.026 -0.534 . . . . 2.23 111.536 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.21 -37.1 69.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.946 0.403 . . . . 2.55 110.776 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -79.71 -37.05 24.21 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 116.006 -0.543 . . . . 2.98 112.823 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.21 -26.86 65.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 4.05 110.831 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 9.4 t -97.57 -173.05 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.822 0.344 . . . . 3.67 110.456 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.268 -0.873 . . . . 6.19 109.678 178.493 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 112.171 -0.372 . . . . 9.39 112.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 18.1 p -115.65 8.37 15.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.866 0.365 . . . . 7.62 111.055 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.06 -56.21 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.452 -0.34 . . . . 6.73 111.054 -176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -60.55 -34.11 73.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 7.4 111.993 -173.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 10.0 p -66.86 -52.19 46.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.666 0.27 . . . . 6.06 111.284 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 16.8 m -70.14 -33.67 72.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.293 0.568 . . . . 5.37 110.034 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.53 -33.39 73.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.183 -0.462 . . . . 6.19 110.29 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 38.8 t -67.78 -47.24 69.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 4.85 110.831 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.469 ' HA ' HE21 ' A' ' 521' ' ' GLN . 2.7 pp -66.34 -40.51 89.9 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.775 -0.37 . . . . 4.21 111.148 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -63.32 -40.09 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.368 -0.378 . . . . 3.16 110.941 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 8.5 t -63.84 -39.04 93.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.073 0.463 . . . . 3.2 110.227 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' ' 518' ' ' LEU . 46.9 mt-30 -63.98 -45.72 87.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.987 -0.551 . . . . 3.88 110.749 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 518' ' ' LEU . 85.0 t -58.97 -40.72 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.13 0.49 . . . . 2.62 110.062 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.05 -39.9 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 115.635 -0.711 . . . . 2.34 110.545 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -62.17 -45.25 94.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 2.88 111.096 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.2 mp -63.9 -39.98 95.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 2.03 110.649 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 1.2 m -69.61 -39.9 76.94 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 116.052 -0.522 . . . . 1.96 110.358 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 16.6 tppt? -63.27 -42.74 99.17 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.81 -0.441 . . . . 2.19 109.81 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.74 -46.21 91.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.585 -0.734 . . . . 2.9 110.616 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 96.5 mt -60.69 -45.72 93.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 1.24 110.475 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -59.43 -44.63 92.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.586 . . . . 3.31 110.955 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.534 ' HA ' HG23 ' A' ' 534' ' ' VAL . 42.5 mt-10 -66.08 -38.84 89.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.857 0.361 . . . . 1.0 110.864 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -33.75 74.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.073 -0.714 . . . . 2.61 109.073 175.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 24.5 m -72.06 -47.49 51.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.765 -0.652 . . . . 0.59 111.32 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.534 HG23 ' HA ' ' A' ' 531' ' ' GLU . 26.7 m -62.55 -38.9 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.644 0.239 . . . . 0.41 111.644 -176.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.55 -35.04 67.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.81 0.338 . . . . 0.81 110.466 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -67.62 -45.59 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.282 -0.417 . . . . 1.73 110.96 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 538' ' ' THR . 28.1 m -63.43 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.078 0.466 . . . . 0.59 110.067 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.456 ' N ' HG22 ' A' ' 537' ' ' VAL . 74.2 m -63.27 -40.26 96.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.645 -0.707 . . . . 0.51 110.94 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.71 -44.73 85.23 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.373 -0.603 . . . . 0.65 109.373 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.52 -26.2 68.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.434 . . . . 2.26 110.931 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 544' ' ' GLN . 7.1 t30 -71.0 -39.44 72.43 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.65 -0.5 . . . . 1.86 109.65 175.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 538' ' ' THR . 88.6 mt-30 -68.83 -36.18 77.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.076 -0.511 . . . . 2.66 109.767 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.6 tt -67.81 -32.63 73.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 0.7 109.669 174.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.606 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 27.8 tt0 -62.14 -45.83 91.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.097 -0.502 . . . . 2.24 109.654 174.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -60.19 -37.02 78.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.798 -0.637 . . . . 2.6 110.033 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.7 t80 -65.59 -49.55 68.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.421 -0.809 . . . . 1.95 111.117 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.6 pp -64.74 -34.6 78.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.554 0.216 . . . . 1.18 110.877 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.0 -40.25 95.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.237 -0.438 . . . . 2.23 110.866 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.69 89.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 1.35 109.965 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.18 -37.61 80.72 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.049 -0.523 . . . . 2.85 110.335 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 45.8 mmtm -65.34 -55.49 17.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 2.86 110.322 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 20.1 m -58.94 -27.76 65.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 2.23 112.19 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -87.44 -45.5 10.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 2.55 110.999 177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.29 -22.77 78.49 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 116.01 -0.541 . . . . 2.98 113.16 -175.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -73.5 -15.61 61.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.124 0.488 . . . . 4.05 110.646 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.0 t -91.28 106.48 18.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.944 -0.571 . . . . 3.67 110.121 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.633 HD23 ' H ' ' A' ' 557' ' ' LEU . 1.5 pt? . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.481 -0.771 . . . . 6.19 110.132 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 112.423 -0.271 . . . . 9.39 112.423 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 25.4 m -96.5 27.82 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.793 0.33 . . . . 7.62 110.606 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 512' ' ' VAL . 4.8 t 63.34 17.84 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.777 0.799 . . . . 6.73 110.19 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -42.16 88.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.618 -0.719 . . . . 7.4 110.855 -176.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 25.5 p -90.43 -37.24 14.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.945 -0.57 . . . . 6.06 110.553 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.524 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 51.7 t -63.44 -37.81 88.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.349 -0.841 . . . . 5.37 111.007 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 55.8 ttp -61.89 -36.5 81.48 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.719 -0.392 . . . . 6.19 110.394 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 27.4 m -69.88 -47.07 63.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 4.85 111.281 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.524 ' HG ' ' HA ' ' A' ' 515' ' ' CYS . 2.8 pp -67.94 -43.26 79.53 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.734 -0.386 . . . . 4.21 111.701 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.89 99.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 -0.267 . . . . 3.16 111.452 -178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 45.5 p -67.15 -35.7 80.26 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.315 -0.254 . . . . 3.2 110.315 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.71 -47.37 83.89 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.778 -0.453 . . . . 3.88 109.778 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 518' ' ' LEU . 97.2 t -58.23 -40.51 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.089 0.471 . . . . 2.62 110.237 175.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 3.1 t -62.39 -40.43 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.818 -0.628 . . . . 2.34 110.754 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.93 -39.45 93.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.647 -0.251 . . . . 2.88 111.056 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.1 mp -61.84 -41.27 97.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.883 0.373 . . . . 2.03 110.158 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -36.55 80.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.048 -0.524 . . . . 1.96 110.158 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 4.5 tppp? -65.73 -45.88 80.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 2.19 110.013 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -60.83 -43.76 97.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.827 -0.624 . . . . 2.9 110.58 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.8 mt -60.82 -45.12 95.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.231 0.538 . . . . 1.24 110.646 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -63.26 -48.3 78.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.703 . . . . 3.31 111.075 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.588 ' HA ' HG23 ' A' ' 534' ' ' VAL . 54.0 mt-10 -63.16 -36.63 84.25 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.202 0.525 . . . . 1.0 110.725 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' A' ' 535' ' ' GLU . 33.6 tt0 -65.89 -40.19 91.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.809 -0.632 . . . . 2.61 110.642 175.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.446 HG23 HH21 ' A' ' 536' ' ' ARG . 57.5 m -73.4 -38.81 65.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.363 -0.381 . . . . 0.59 111.567 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.588 HG23 ' HA ' ' A' ' 531' ' ' GLU . 27.2 m -64.32 -39.12 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 120.628 -0.429 . . . . 0.41 111.245 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 532' ' ' GLN . 0.0 OUTLIER -71.26 -31.69 67.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.159 0.504 . . . . 0.81 110.222 175.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.446 HH21 HG23 ' A' ' 533' ' ' THR . 5.3 tmm_? -70.1 -45.08 67.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.597 -0.728 . . . . 1.73 111.188 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.558 HG23 ' HA ' ' A' ' 534' ' ' VAL . 29.0 m -66.34 -39.0 83.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.59 110.04 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.542 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 52.1 m -58.94 -37.2 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.885 -0.598 . . . . 0.51 110.782 175.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.52 -43.57 89.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.503 -0.554 . . . . 0.65 109.503 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -65.33 -29.48 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 2.26 110.457 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . 0.418 ' O ' ' HG3' ' A' ' 545' ' ' GLN . 43.8 t-20 -68.78 -39.53 80.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.589 -0.523 . . . . 1.86 109.589 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 538' ' ' THR . 31.1 mm-40 -61.02 -39.9 91.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.317 -0.623 . . . . 2.66 109.317 173.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.7 tt -68.43 -35.77 78.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.517 -0.765 . . . . 0.7 110.415 176.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.592 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 32.9 tt0 -59.93 -46.57 88.97 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.283 0.563 . . . . 2.24 109.515 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 541' ' ' ASN . 75.7 mt-30 -64.4 -32.98 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.484 -0.78 . . . . 2.6 110.214 175.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.55 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 0.9 OUTLIER -65.15 -50.57 65.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 1.95 110.866 177.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.8 pp -64.85 -38.09 89.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 1.18 110.512 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.34 -34.45 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.294 -0.412 . . . . 2.23 110.997 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.16 77.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.977 0.418 . . . . 1.35 110.127 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.485 ' OE1' ' HA ' ' A' ' 547' ' ' LEU . 47.5 mt-30 -66.74 -42.81 85.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 2.85 109.81 173.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 75.0 mmtt -60.95 -40.73 94.44 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.878 -0.601 . . . . 2.86 110.309 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 22.5 m -55.66 -36.37 67.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.939 -0.573 . . . . 2.23 110.785 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -79.69 -46.55 16.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.44 . . . . 2.55 110.452 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.77 72.74 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.534 -0.757 . . . . 2.98 113.498 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -75.75 -12.71 60.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.03 0.443 . . . . 4.05 110.645 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 18.9 t -97.66 -42.7 7.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.856 -0.611 . . . . 3.67 109.662 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.323 -0.846 . . . . 6.19 109.142 179.317 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.87 -0.492 . . . . 9.39 111.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 2.8 p -112.29 -14.38 13.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.543 0.211 . . . . 7.62 111.369 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 25.3 t -59.51 -41.58 85.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.441 -0.345 . . . . 6.73 110.397 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 514' ' ' THR . 7.1 pt-20 -56.33 -42.41 77.65 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.084 -0.507 . . . . 7.4 110.789 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' A' ' 513' ' ' GLU . 2.6 m -66.56 -52.12 49.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.966 -0.561 . . . . 6.06 110.707 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.411 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 58.9 m -62.64 -36.64 83.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 5.37 111.355 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -63.05 -42.11 99.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.034 0.445 . . . . 6.19 109.989 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 25.1 m -67.5 -47.35 70.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.599 . . . . 4.85 111.198 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 522' ' ' VAL . 2.8 pp -66.86 -41.71 86.88 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.071 -0.252 . . . . 4.21 111.657 -178.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.03 -43.3 99.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.606 0.241 . . . . 3.16 111.068 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 19.5 m -63.71 -39.68 94.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.995 0.426 . . . . 3.2 110.248 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -61.85 -49.11 77.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 3.88 110.116 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 518' ' ' LEU . 94.7 t -60.95 -40.22 84.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 2.62 110.555 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.87 -40.98 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.214 -0.448 . . . . 2.34 110.772 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -42.99 80.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.723 -0.217 . . . . 2.88 111.346 177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 8.0 mp -63.24 -42.06 99.16 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.031 0.443 . . . . 2.03 110.372 176.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 1.3 m -68.43 -38.84 81.55 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 115.606 -0.725 . . . . 1.96 110.451 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 4.0 tppp? -60.46 -46.33 90.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 2.19 110.217 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 532' ' ' GLN . 7.7 tt0 -61.23 -48.11 82.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 2.9 110.552 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 93.7 mt -60.58 -45.29 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 1.24 110.766 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . 0.495 ' O ' HG12 ' A' ' 534' ' ' VAL . 26.5 tptp -57.44 -49.02 77.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.225 -0.898 . . . . 3.31 110.998 -177.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 527' ' ' LYS . 55.5 mt-10 -71.92 -45.24 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.342 -175.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 528' ' ' GLN . 12.8 mm100 -63.49 -33.72 76.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.392 -0.367 . . . . 2.61 110.588 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 34.8 m -75.27 -45.56 39.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.612 -0.267 . . . . 0.59 111.502 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 530' ' ' LYS . 27.2 m -60.48 -40.27 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.844 -0.342 . . . . 0.41 111.312 -176.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.7 pt-20 -73.29 -36.65 66.33 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.51 -0.476 . . . . 0.81 110.7 176.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -65.79 -45.35 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.659 -0.246 . . . . 1.73 111.381 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 538' ' ' THR . 27.8 m -64.73 -39.26 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.59 110.153 178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 537' ' ' VAL . 69.4 m -63.79 -38.67 91.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.51 110.744 175.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.48 -43.03 91.49 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.691 -0.485 . . . . 0.65 109.691 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.79 -31.7 72.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.906 0.384 . . . . 2.26 110.755 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.45 -42.23 98.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.017 -0.538 . . . . 1.86 109.806 173.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.73 -40.76 88.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.558 -0.746 . . . . 2.66 110.381 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.608 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 7.8 tt -66.61 -33.01 74.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.003 -0.544 . . . . 0.7 110.03 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.473 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 28.1 tt0 -63.63 -44.59 93.45 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.547 -0.538 . . . . 2.24 109.547 173.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -60.9 -38.87 87.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.882 -0.599 . . . . 2.6 110.221 172.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.608 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.7 t80 -67.62 -48.15 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.595 -0.73 . . . . 1.95 111.563 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 4.2 pp -64.08 -34.88 79.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.311 0.577 . . . . 1.18 110.281 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 551' ' ' LYS . 29.9 mm-40 -70.55 -34.81 72.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.628 -0.715 . . . . 2.23 111.353 173.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.58 79.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.333 . . . . 1.35 110.128 173.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 546' ' ' PHE . 43.0 mt-30 -62.9 -40.72 98.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.013 -0.539 . . . . 2.85 109.754 174.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 548' ' ' GLU . 38.8 mmtm -56.63 -50.77 71.06 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.354 -0.61 . . . . 2.86 109.354 173.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.878 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 24.2 m -56.59 -39.23 73.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 2.23 111.803 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -67.85 -38.95 83.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 2.55 110.875 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -80.06 -38.89 17.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.963 -0.637 . . . . 2.98 112.794 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.878 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 52.9 pttt -76.64 -8.9 58.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.781 0.324 . . . . 4.05 111.066 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 557' ' ' LEU . 23.4 t -61.6 -64.04 1.07 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.306 -0.627 . . . . 3.67 109.306 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 556' ' ' SER . 22.4 tp . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.749 -0.66 . . . . 6.19 109.255 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.118 -0.393 . . . . 9.39 112.118 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 45.7 m -81.86 -44.79 16.4 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.275 0.23 . . . . 7.62 111.462 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.56 -25.3 32.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.226 0.536 . . . . 6.73 109.782 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.55 -44.89 89.82 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.228 -0.896 . . . . 7.4 110.043 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' THR . . . . . 0.495 ' O ' ' HG ' ' A' ' 518' ' ' LEU . 5.6 m -62.98 -46.32 88.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.777 -0.647 . . . . 6.06 110.724 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 35.8 m -58.97 -47.03 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 5.37 110.997 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 58.6 ttp -63.01 -36.83 84.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.942 0.401 . . . . 6.19 110.406 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 41.5 t -67.68 -47.93 68.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.148 -0.478 . . . . 4.85 111.036 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 514' ' ' THR . 2.7 pp -68.16 -42.11 80.55 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.901 0.334 . . . . 4.21 111.901 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.26 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.792 0.293 . . . . 3.16 111.792 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 19.6 p -67.86 -36.16 79.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.379 . . . . 3.2 110.362 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.32 -48.86 77.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.984 -0.553 . . . . 3.88 109.93 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.97 -41.25 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 2.62 110.618 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.81 -40.83 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 115.89 -0.595 . . . . 2.34 110.635 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.35 -40.03 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.492 -0.322 . . . . 2.88 111.187 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 8.6 mp -65.21 -48.24 74.07 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.191 -0.204 . . . . 2.03 111.01 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.4 t -65.85 -37.93 87.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.753 0.311 . . . . 1.96 110.734 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -69.37 -38.35 78.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.902 -0.407 . . . . 2.19 109.902 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -61.16 -45.18 95.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.721 -0.672 . . . . 2.9 110.272 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.5 mt -60.46 -45.68 92.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.564 -0.744 . . . . 1.24 110.653 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -69.91 -46.15 66.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.644 -0.707 . . . . 3.31 111.892 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.488 ' HA ' HG23 ' A' ' 534' ' ' VAL . 43.4 mt-10 -62.43 -36.82 83.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.603 0.24 . . . . 1.0 110.715 178.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -62.06 -43.11 99.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.068 0.461 . . . . 2.61 110.22 175.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.5 m -66.3 -46.51 76.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.59 111.153 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.488 HG23 ' HA ' ' A' ' 531' ' ' GLU . 32.6 m -63.88 -39.45 85.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.801 0.297 . . . . 0.41 111.801 -176.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.9 pt-20 -73.36 -33.64 65.18 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.332 -0.547 . . . . 0.81 110.538 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 8.6 tmm_? -68.11 -43.02 79.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.813 -0.176 . . . . 1.73 111.154 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 538' ' ' THR . 29.2 m -65.44 -39.5 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.218 0.532 . . . . 0.59 110.026 177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.496 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 93.5 m -64.35 -38.38 90.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 0.51 110.151 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.03 -39.31 91.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.671 -0.492 . . . . 0.65 109.671 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.3 mm100 -58.67 -37.77 76.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.219 -0.446 . . . . 2.26 110.843 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -67.41 -38.95 85.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 1.86 109.946 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 538' ' ' THR . 11.4 mm100 -65.91 -39.57 90.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.23 0.538 . . . . 2.66 109.652 175.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 10.0 tt -68.06 -33.53 74.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.655 . . . . 0.7 109.993 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.698 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 19.7 tt0 -61.21 -46.65 89.56 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 109.416 -0.587 . . . . 2.24 109.416 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -63.63 -33.33 75.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.884 -0.598 . . . . 2.6 110.392 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.596 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.8 t80 -63.57 -49.06 74.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.94 -0.573 . . . . 1.95 110.79 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.9 pp -65.23 -37.58 87.7 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.753 0.311 . . . . 1.18 110.599 175.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 551' ' ' LYS . 47.9 mt-10 -58.83 -36.42 74.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.056 0.455 . . . . 2.23 110.642 174.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 553' ' ' GLU . . . -67.92 -36.43 80.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 1.35 110.76 176.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.64 -33.34 75.7 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.119 0.485 . . . . 2.85 109.844 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 548' ' ' GLU . 75.4 mmtt -62.7 -46.26 88.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.568 -0.742 . . . . 2.86 109.904 173.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.416 ' HA ' ' HG2' ' A' ' 555' ' ' LYS . 37.2 m -57.24 -42.03 80.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.13 -0.486 . . . . 2.23 110.795 175.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 549' ' ' ALA . 28.8 mm-40 -63.86 -47.51 80.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.135 0.493 . . . . 2.55 110.577 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.09 -37.97 87.78 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.741 -0.663 . . . . 2.98 113.122 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 552' ' ' SER . 13.3 ptmm? -73.21 -21.67 60.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.847 0.323 . . . . 4.05 111.224 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.453 ' HB3' HD22 ' A' ' 557' ' ' LEU . 10.6 t -72.79 -44.22 61.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.448 -0.342 . . . . 3.67 110.35 -178.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 556' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.291 -0.385 . . . . 6.19 110.311 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 112.312 -0.315 . . . . 9.39 112.312 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 48.8 m 69.39 -58.85 0.5 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.85 0.86 . . . . 7.62 112.494 176.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.52 -32.88 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.989 0.423 . . . . 6.73 110.962 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -54.96 -42.23 72.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.398 -0.819 . . . . 7.4 111.409 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.73 -39.89 26.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.206 -0.452 . . . . 6.06 110.603 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.533 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 33.3 m -67.69 -35.87 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.05 -0.523 . . . . 5.37 111.354 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.69 -36.84 84.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.72 -0.474 . . . . 6.19 109.72 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 44.2 t -69.59 -47.05 64.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.913 -0.585 . . . . 4.85 111.157 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.533 ' HG ' ' HA ' ' A' ' 515' ' ' CYS . 2.7 pp -66.99 -39.32 87.13 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.764 -0.375 . . . . 4.21 111.508 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . 0.458 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -64.47 -42.96 95.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.525 -0.307 . . . . 3.16 111.452 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 24.5 p -68.04 -34.48 76.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 3.2 110.438 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . 0.414 ' O ' HD12 ' A' ' 525' ' ' LEU . 49.9 tt0 -61.66 -45.68 93.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 3.88 110.125 175.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 518' ' ' LEU . 81.0 t -58.57 -40.31 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 2.62 110.174 174.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.4 -43.23 96.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.915 -0.584 . . . . 2.34 110.833 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -64.14 -41.25 97.27 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.624 0.25 . . . . 2.88 110.811 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 5.3 mp -61.36 -48.05 83.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 2.03 110.542 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.92 -38.89 87.32 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.776 -0.647 . . . . 1.96 110.785 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.42 -48.15 76.45 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.059 -0.519 . . . . 2.19 110.592 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -62.3 -38.31 88.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 2.9 110.885 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.4 mt -64.1 -46.35 84.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 1.24 110.544 177.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -61.35 -49.56 76.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.901 -0.591 . . . . 3.31 111.541 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.611 ' HA ' HG23 ' A' ' 534' ' ' VAL . 33.1 mt-10 -66.22 -36.71 83.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.239 -176.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.4 -41.08 98.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.127 0.489 . . . . 2.61 110.358 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 25.2 m -72.57 -45.47 59.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.004 -0.543 . . . . 0.59 111.347 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.611 HG23 ' HA ' ' A' ' 531' ' ' GLU . 28.9 m -62.59 -39.0 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 111.726 0.269 . . . . 0.41 111.726 -177.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.5 pt-20 -72.47 -34.8 67.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.706 -0.398 . . . . 0.81 110.3 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.5 tmm_? -68.71 -44.91 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 1.73 111.178 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.425 HG22 ' N ' ' A' ' 538' ' ' THR . 28.7 m -65.36 -39.11 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.043 0.449 . . . . 0.59 110.295 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 76.8 m -65.94 -38.97 90.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.774 -0.648 . . . . 0.51 110.829 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.07 -45.91 91.44 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.264 -0.643 . . . . 0.65 109.264 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 84.6 mm-40 -63.83 -27.91 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 2.26 111.221 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.77 -45.53 74.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.297 -0.411 . . . . 1.86 110.132 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 538' ' ' THR . 15.1 mt-30 -63.98 -43.1 96.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.922 -0.581 . . . . 2.66 109.74 176.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.557 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.3 tt -64.54 -32.95 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.127 -0.942 . . . . 0.7 110.192 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.519 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 8.0 tt0 -59.82 -46.75 88.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.997 0.427 . . . . 2.24 110.002 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.78 -35.07 79.39 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.204 0.526 . . . . 2.6 110.254 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.557 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.0 t80 -68.63 -47.04 67.65 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.593 -0.731 . . . . 1.95 111.627 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.595 ' HA ' HE21 ' A' ' 550' ' ' GLN . 3.5 pp -63.92 -38.91 92.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.713 0.292 . . . . 1.18 110.833 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -67.06 -34.73 78.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 2.23 110.784 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.03 89.38 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.767 -0.457 . . . . 1.35 109.767 173.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.595 HE21 ' HA ' ' A' ' 547' ' ' LEU . 43.0 mt-30 -62.36 -44.09 97.28 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.302 -0.408 . . . . 2.85 110.126 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 32.7 mmtp -56.4 -45.66 80.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 2.86 110.271 175.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.61 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 37.5 m -62.08 -34.01 75.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.82 -0.627 . . . . 2.23 111.37 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -79.59 -39.39 31.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.0 0.429 . . . . 2.55 110.726 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.06 -40.08 93.06 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.806 -0.634 . . . . 2.98 112.557 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.61 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 63.2 pttt -68.61 -15.09 63.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.068 0.461 . . . . 4.05 110.848 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.3 t -80.63 75.8 7.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.415 0.626 . . . . 3.67 109.72 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.248 0.98 0 N-CA-C 108.489 -0.93 . . . . 6.19 108.489 179.304 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 112.614 -0.195 . . . . 9.39 112.614 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' SER . . . . . 0.402 ' HB2' ' OG1' ' A' ' 514' ' ' THR . 24.2 m -114.51 132.01 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.324 -0.621 . . . . 7.62 109.324 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.13 -33.12 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.168 -0.469 . . . . 6.73 111.258 -175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -60.43 -51.05 71.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.555 0.693 . . . . 7.4 110.644 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' THR . . . . . 0.51 ' O ' ' HG ' ' A' ' 518' ' ' LEU . 7.3 p -73.59 -43.61 59.3 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.741 -1.118 . . . . 6.06 111.365 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.437 ' O ' HD12 ' A' ' 518' ' ' LEU . 42.2 t -56.18 -50.33 71.52 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.378 -0.374 . . . . 5.37 111.37 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 48.6 mtt -62.98 -33.18 74.84 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.591 -0.444 . . . . 6.19 110.952 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 51.0 m -69.4 -48.55 60.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.764 -0.198 . . . . 4.85 111.203 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 514' ' ' THR . 2.4 pp -67.93 -41.85 81.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.871 -0.332 . . . . 4.21 111.506 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.18 99.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 3.16 111.477 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 24.7 p -66.58 -39.08 88.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.098 -0.241 . . . . 3.2 110.756 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -62.46 -48.08 81.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.893 -0.41 . . . . 3.88 109.893 176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 518' ' ' LEU . 78.3 t -58.5 -38.66 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 2.62 110.692 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . 0.591 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.2 t -60.56 -40.13 83.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 2.34 111.14 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.8 -38.47 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.796 -0.362 . . . . 2.88 110.723 175.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 11.0 mp -65.11 -48.47 73.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 2.03 110.685 177.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 523' ' ' VAL . 9.3 t -66.25 -32.45 73.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.309 -0.405 . . . . 1.96 110.628 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -60.11 -47.43 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.017 0.437 . . . . 2.19 109.906 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -65.71 -41.96 91.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.787 -0.642 . . . . 2.9 109.767 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.9 mt -61.15 -45.45 94.59 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.267 -0.424 . . . . 1.24 111.258 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -62.37 -42.35 99.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.208 -0.451 . . . . 3.31 111.22 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.567 ' HA ' HG23 ' A' ' 534' ' ' VAL . 47.0 mt-10 -65.02 -37.61 88.19 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.328 175.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -61.88 -37.66 85.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.105 -0.498 . . . . 2.61 110.134 175.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.9 m -69.28 -48.36 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.019 -0.537 . . . . 0.59 111.114 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.567 HG23 ' HA ' ' A' ' 531' ' ' GLU . 27.5 m -64.58 -39.02 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.828 0.307 . . . . 0.41 111.828 -176.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 11.1 pt-20 -71.73 -33.31 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.675 -0.41 . . . . 0.81 110.295 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.51 -47.02 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 1.73 111.07 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.449 HG22 ' N ' ' A' ' 538' ' ' THR . 24.6 m -63.35 -39.63 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.59 110.131 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 97.8 m -65.05 -38.41 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.51 110.82 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.38 -44.18 75.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.621 -0.511 . . . . 0.65 109.621 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -61.8 -32.66 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.155 -0.475 . . . . 2.26 110.742 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -63.3 -45.67 90.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.493 -0.558 . . . . 1.86 109.493 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 538' ' ' THR . 12.2 mm100 -63.94 -39.94 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.577 . . . . 2.66 110.224 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.557 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 10.0 tt -68.61 -35.89 77.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.846 -0.615 . . . . 0.7 110.736 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.624 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 34.3 tt0 -63.0 -42.4 99.84 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.47 -0.567 . . . . 2.24 109.47 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -68.66 -32.36 72.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.594 -0.73 . . . . 2.6 110.265 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.557 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 0.8 OUTLIER -63.56 -47.31 82.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.167 -0.47 . . . . 1.95 111.203 178.13 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.5 pp -64.48 -34.87 79.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.921 0.391 . . . . 1.18 110.392 177.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 544' ' ' GLN . 96.5 mt-10 -66.75 -36.61 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 2.23 110.752 173.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.45 94.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 1.35 110.232 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 546' ' ' PHE . 47.2 mt-30 -58.79 -35.78 73.39 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.159 -0.473 . . . . 2.85 110.183 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 47.4 mmtm -68.18 -41.91 80.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 2.86 110.28 176.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.403 ' HA ' ' CD ' ' A' ' 555' ' ' LYS . 7.7 t -64.14 -27.12 68.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.959 -0.564 . . . . 2.23 110.082 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -78.67 -42.85 27.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 2.55 110.448 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.65 -32.16 67.46 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 115.66 -0.7 . . . . 2.98 113.151 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.403 ' CD ' ' HA ' ' A' ' 552' ' ' SER . 22.9 ptmt -64.66 -21.26 66.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.274 0.559 . . . . 4.05 110.521 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 12.3 t -97.52 9.0 43.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.648 -0.705 . . . . 3.67 109.868 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.687 -0.688 . . . . 6.19 109.628 178.675 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.739 -0.544 . . . . 9.39 111.739 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 22.7 p -91.21 31.48 1.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.746 0.273 . . . . 7.62 111.348 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 79.3 t 70.99 -54.44 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 123.165 0.586 . . . . 6.73 112.124 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . 0.427 ' HA ' ' HE1' ' A' ' 516' ' ' MET . 12.1 pt-20 -55.46 -41.46 72.94 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 122.836 0.454 . . . . 7.4 112.092 -175.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -13.61 59.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.024 0.44 . . . . 6.06 111.135 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 14.5 t -93.08 -34.98 13.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.744 -0.835 . . . . 5.37 108.744 175.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.427 ' HE1' ' HA ' ' A' ' 513' ' ' GLU . 48.3 ttp -55.63 -33.84 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.22 -0.9 . . . . 6.19 110.778 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 61.9 p -69.73 -49.57 51.93 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.024 -0.534 . . . . 4.85 111.2 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 522' ' ' VAL . 2.9 pp -68.45 -39.81 81.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.779 0.324 . . . . 4.21 111.728 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . 0.434 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -61.06 -43.22 99.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.942 -0.572 . . . . 3.16 111.539 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 11.3 p -66.0 -36.1 82.36 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.256 -0.178 . . . . 3.2 110.824 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.65 -47.12 86.83 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.75 -0.38 . . . . 3.88 110.084 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 518' ' ' LEU . 93.8 t -58.71 -38.71 73.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.936 0.398 . . . . 2.62 110.398 176.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . 0.428 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.4 t -59.88 -39.89 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.694 -0.685 . . . . 2.34 111.0 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -41.83 91.06 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.885 -0.326 . . . . 2.88 110.889 175.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.8 mp -64.68 -48.99 72.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.557 -0.292 . . . . 2.03 111.145 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' THR . . . . . 0.428 HG22 ' HA ' ' A' ' 523' ' ' VAL . 12.6 t -63.71 -33.87 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.435 -0.348 . . . . 1.96 110.8 -175.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.59 -46.97 67.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.322 . . . . 2.19 110.457 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -62.36 -42.15 99.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.203 -0.453 . . . . 2.9 110.496 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.1 mt -60.82 -45.2 95.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 1.24 110.26 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -59.36 -44.61 92.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.557 -0.747 . . . . 3.31 110.451 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 535' ' ' GLU . 33.2 mt-10 -62.22 -42.97 99.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.506 -0.316 . . . . 1.0 111.031 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.98 -34.2 75.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.781 0.324 . . . . 2.61 110.644 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.464 HG23 ' NH2' ' A' ' 536' ' ' ARG . 29.7 m -70.54 -48.25 56.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.352 -0.385 . . . . 0.59 111.033 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.428 HG23 ' HA ' ' A' ' 531' ' ' GLU . 27.1 m -64.52 -39.52 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 111.916 0.339 . . . . 0.41 111.916 -175.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 11.3 pt-20 -73.48 -32.45 64.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.921 -0.487 . . . . 0.81 110.73 176.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.464 ' NH2' HG23 ' A' ' 533' ' ' THR . 5.8 tmm_? -68.44 -45.35 72.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 1.73 111.15 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 538' ' ' THR . 32.3 m -62.64 -39.72 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.128 0.489 . . . . 0.59 109.978 177.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 86.6 m -63.59 -37.49 87.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.62 -0.718 . . . . 0.51 110.683 175.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.14 -44.49 88.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.492 -0.559 . . . . 0.65 109.492 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . 0.771 HE21 ' HA ' ' A' ' 540' ' ' GLN . 0.0 OUTLIER -63.76 -32.93 74.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 2.26 110.514 176.349 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.93 -44.41 92.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.86 110.098 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 538' ' ' THR . 46.9 mt-30 -67.41 -38.12 84.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.933 -0.576 . . . . 2.66 110.277 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.567 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.0 tt -67.51 -32.95 74.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.92 -0.582 . . . . 0.7 110.195 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 49.1 tt0 -60.88 -45.19 95.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.192 0.52 . . . . 2.24 109.649 174.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.78 -38.0 89.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.743 . . . . 2.6 110.203 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.567 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.5 t80 -63.59 -51.49 65.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.862 -0.608 . . . . 1.95 111.22 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 551' ' ' LYS . 3.4 pp -64.9 -40.68 95.47 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.595 0.236 . . . . 1.18 110.837 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.4 -37.35 86.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.363 -0.381 . . . . 2.23 111.068 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.86 96.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.01 -0.367 . . . . 1.35 110.01 174.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 546' ' ' PHE . 12.9 mm100 -61.71 -39.53 91.84 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.95 -0.568 . . . . 2.85 110.445 177.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 34.5 mmtp -59.75 -56.85 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 2.86 110.367 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 15.0 m -59.33 -45.18 92.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.249 -0.432 . . . . 2.23 111.836 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.13 -39.08 66.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.835 0.35 . . . . 2.55 110.987 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -72.69 -35.0 59.2 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.932 -0.652 . . . . 2.98 112.603 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -79.12 -9.26 59.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 4.05 110.611 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 22.9 t -78.92 83.41 5.03 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.098 -0.501 . . . . 3.67 109.842 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 C--O 1.246 0.91 0 N-CA-C 108.886 -0.783 . . . . 6.19 108.886 179.573 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.012 -0.435 . . . . 9.39 112.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 18.7 m -119.44 -53.96 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.8 0.3 . . . . 7.62 111.116 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 10.2 t -65.96 -21.19 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.046 0.45 . . . . 6.73 111.4 -175.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.09 -28.22 64.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 7.4 110.949 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 36.2 p -116.61 174.06 6.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.991 -0.55 . . . . 6.06 109.911 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.48 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 48.3 m 72.18 -38.86 0.43 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.164 0.586 . . . . 5.37 111.555 177.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 26.7 ttt -61.21 -33.32 73.29 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.472 -0.566 . . . . 6.19 109.472 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 5.6 t -64.96 -49.39 70.52 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.694 -0.685 . . . . 4.85 110.852 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 515' ' ' CYS . 2.6 pp -67.56 -36.89 81.82 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.056 0.455 . . . . 4.21 110.851 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -62.96 -37.51 87.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.78 -0.645 . . . . 3.16 110.658 175.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 11.4 t -63.25 -35.92 81.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.041 0.448 . . . . 3.2 109.83 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . 0.436 ' O ' HD12 ' A' ' 525' ' ' LEU . 24.5 mt-30 -61.3 -46.35 90.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.963 -0.562 . . . . 3.88 110.036 176.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.9 -40.46 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.827 -0.624 . . . . 2.62 110.237 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 526' ' ' THR . 3.4 t -61.66 -40.04 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 115.676 -0.693 . . . . 2.34 110.992 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -35.67 81.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.714 0.292 . . . . 2.88 110.79 175.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 521' ' ' GLN . 5.8 mp -65.67 -48.68 71.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.808 0.337 . . . . 2.03 110.521 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 523' ' ' VAL . 13.6 t -66.65 -33.17 75.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 1.96 110.042 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 17.8 tppt? -63.65 -47.79 79.86 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.573 -0.285 . . . . 2.19 110.596 177.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -60.51 -43.97 96.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 2.9 109.994 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.17 -45.86 86.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 1.24 110.619 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -57.75 -49.62 75.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.675 -0.693 . . . . 3.31 111.619 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.599 ' HA ' HG23 ' A' ' 534' ' ' VAL . 22.6 mt-10 -67.92 -36.17 79.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.898 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -68.19 -32.76 73.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.836 0.351 . . . . 2.61 110.502 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 32.8 m -73.21 -44.67 59.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.498 -0.319 . . . . 0.59 111.153 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.599 HG23 ' HA ' ' A' ' 531' ' ' GLU . 26.9 m -62.85 -38.38 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 121.153 -0.219 . . . . 0.41 111.35 -178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 10.3 pt-20 -71.61 -36.29 70.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.718 -0.393 . . . . 0.81 110.309 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -66.87 -43.89 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 1.73 111.009 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 538' ' ' THR . 31.6 m -65.04 -38.91 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.59 110.124 176.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 75.2 m -64.21 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.756 -0.656 . . . . 0.51 111.06 176.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -62.78 -44.23 96.74 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.239 -0.652 . . . . 0.65 109.239 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -64.48 -31.59 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 2.26 110.583 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 544' ' ' GLN . 8.8 t30 -66.78 -39.98 88.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.872 -0.603 . . . . 1.86 109.981 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 538' ' ' THR . 24.6 mt-30 -66.51 -35.56 80.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.074 -0.512 . . . . 2.66 109.8 174.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.558 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 10.0 tt -66.39 -33.85 76.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.7 110.065 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.57 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 6.0 tp-100 -60.86 -46.08 91.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.207 -0.664 . . . . 2.24 109.207 172.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 542' ' ' GLN . 47.9 mt-30 -61.19 -36.37 79.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.758 -0.655 . . . . 2.6 110.158 175.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.558 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.0 OUTLIER -64.01 -50.13 69.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.567 -0.742 . . . . 1.95 111.383 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.846 ' HA ' HE21 ' A' ' 550' ' ' GLN . 4.0 pp -64.43 -37.48 87.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.763 0.316 . . . . 1.18 110.525 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.38 -35.25 80.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.096 -0.502 . . . . 2.23 111.023 175.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.93 80.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.716 0.293 . . . . 1.35 110.516 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.846 HE21 ' HA ' ' A' ' 547' ' ' LEU . 46.9 mt-30 -64.39 -42.45 96.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.195 0.521 . . . . 2.85 109.876 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -60.57 -39.37 87.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.736 -0.666 . . . . 2.86 110.217 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 556' ' ' SER . 20.0 m -61.65 -35.74 78.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.519 -0.764 . . . . 2.23 110.798 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -70.8 -39.3 73.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.045 0.45 . . . . 2.55 110.56 175.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.18 -46.19 66.47 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.942 -0.572 . . . . 2.98 112.719 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -72.03 -18.13 61.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 4.05 111.414 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.493 ' HB2' ' O ' ' A' ' 552' ' ' SER . 9.5 t -71.15 155.04 41.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.281 -0.418 . . . . 3.67 110.806 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 557' ' ' LEU . 6.3 mp . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.638 -0.696 . . . . 6.19 110.266 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 112.295 -0.322 . . . . 9.39 112.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 11.7 p -60.76 -50.72 72.33 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.314 0.487 . . . . 7.62 112.314 -175.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 4.7 t -62.15 -34.44 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 6.73 110.928 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.44 -48.19 82.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 7.4 110.761 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 3.3 p -72.85 -33.65 66.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.46 -0.336 . . . . 6.06 111.233 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 62.1 m -66.11 -36.73 83.95 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.764 0.316 . . . . 5.37 110.463 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 28.1 ttt -63.68 -38.82 92.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.95 0.405 . . . . 6.19 110.279 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 40.3 t -69.09 -34.45 75.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.238 0.542 . . . . 4.85 110.048 176.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.415 ' O ' HG21 ' A' ' 522' ' ' VAL . 0.4 OUTLIER -65.76 -45.34 82.92 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.694 -0.685 . . . . 4.21 109.808 176.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.02 85.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.113 -0.494 . . . . 3.16 111.236 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 44.5 p -65.0 -35.28 80.69 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.955 -0.387 . . . . 3.2 109.955 177.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -60.83 -46.93 88.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 3.88 109.815 175.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 518' ' ' LEU . 93.4 t -58.53 -39.73 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.155 0.502 . . . . 2.62 110.082 175.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.03 -40.32 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.896 -0.593 . . . . 2.34 110.614 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -62.84 -45.08 94.29 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.808 0.337 . . . . 2.88 111.021 174.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.5 mp -60.89 -42.61 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 2.03 110.38 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 529' ' ' LEU . 1.0 OUTLIER -71.6 -35.07 70.39 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.886 -0.597 . . . . 1.96 110.627 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . 0.513 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 15.0 tppt? -61.18 -45.96 92.46 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.606 -0.516 . . . . 2.19 109.606 176.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 528' ' ' GLN . 6.4 tt0 -61.04 -41.81 97.29 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.424 -0.807 . . . . 2.9 110.448 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.7 mt -60.53 -46.32 90.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 1.24 110.741 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.21 -49.46 75.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.03 -0.532 . . . . 3.31 111.209 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 527' ' ' LYS . 33.3 mt-10 -64.82 -39.25 93.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.873 -176.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -63.91 -41.22 97.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.208 -0.451 . . . . 2.61 110.466 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 45.0 m -70.3 -45.71 65.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.439 -0.346 . . . . 0.59 111.281 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 531' ' ' GLU . 34.9 m -63.04 -40.18 88.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 121.025 -0.27 . . . . 0.41 111.67 -175.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 4.6 pt-20 -72.61 -36.77 68.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.388 -0.525 . . . . 0.81 110.373 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.401 ' N ' ' HG3' ' A' ' 535' ' ' GLU . 7.2 tmm_? -66.63 -44.28 82.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.73 111.365 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 538' ' ' THR . 32.8 m -66.98 -39.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.59 110.298 178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.449 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 30.8 m -63.92 -37.8 88.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 0.51 110.741 175.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -63.02 -44.11 96.87 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.6 -0.519 . . . . 0.65 109.6 177.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.75 -34.61 78.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.05 -0.523 . . . . 2.26 110.767 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -63.85 -44.32 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.626 -0.509 . . . . 1.86 109.626 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 538' ' ' THR . 15.4 mm100 -60.62 -44.0 96.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.783 -0.644 . . . . 2.66 110.077 174.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 7.3 tt -68.0 -33.49 74.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.585 -0.734 . . . . 0.7 110.871 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.503 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 44.4 tt0 -59.85 -47.47 85.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.019 0.437 . . . . 2.24 110.007 176.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.36 -33.52 76.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.697 -0.683 . . . . 2.6 110.3 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.542 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.4 t80 -67.64 -49.2 64.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.726 -0.67 . . . . 1.95 111.293 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.5 pp -64.83 -35.44 81.11 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.916 0.389 . . . . 1.18 110.894 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 551' ' ' LYS . 29.8 mt-10 -71.12 -34.2 70.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.152 -0.476 . . . . 2.23 111.016 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.32 71.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 1.35 110.235 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 546' ' ' PHE . 17.8 mt-30 -64.37 -38.48 91.19 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.077 -0.511 . . . . 2.85 109.888 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 548' ' ' GLU . 73.6 mmtt -58.21 -47.2 84.23 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.993 -0.549 . . . . 2.86 109.652 175.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 556' ' ' SER . 16.0 m -59.48 -33.47 71.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.636 -0.711 . . . . 2.23 111.029 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.88 -47.56 58.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.148 0.499 . . . . 2.55 110.668 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.78 -40.49 95.68 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.725 -0.67 . . . . 2.98 112.623 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 552' ' ' SER . 13.9 ptmm? -76.58 -14.71 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.525 0.202 . . . . 4.05 111.248 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.494 ' HB2' ' O ' ' A' ' 552' ' ' SER . 19.7 t -72.95 84.67 1.26 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.158 0.504 . . . . 3.67 110.702 -177.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.244 0.809 0 N-CA-C 108.793 -0.817 . . . . 6.19 108.793 175.235 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.518 -0.233 . . . . 9.39 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 10.1 m -109.31 26.06 11.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.914 0.338 . . . . 7.62 111.914 -175.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.49 -52.32 47.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.843 -0.343 . . . . 6.73 110.108 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -60.1 -29.11 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 7.4 110.894 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 14.9 m -63.55 -56.25 17.43 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.202 -0.454 . . . . 6.06 110.732 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.523 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 39.0 m -67.24 -35.28 79.22 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.969 0.414 . . . . 5.37 110.601 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -61.0 -41.17 96.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.86 -0.422 . . . . 6.19 109.86 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' SER . . . . . 0.598 ' O ' ' HG2' ' A' ' 521' ' ' GLN . 22.9 t -67.26 -47.38 70.88 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.97 -0.559 . . . . 4.85 111.023 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.523 ' HG ' ' HA ' ' A' ' 515' ' ' CYS . 2.4 pp -64.21 -39.21 93.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.317 -0.553 . . . . 4.21 111.482 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -66.36 -43.44 85.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 3.16 111.16 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 27.2 p -69.85 -35.68 74.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.658 -0.247 . . . . 3.2 110.752 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . 0.598 ' HG2' ' O ' ' A' ' 517' ' ' SER . 25.8 mm-40 -62.65 -44.08 97.17 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 120.888 -0.325 . . . . 3.88 110.237 175.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 518' ' ' LEU . 65.4 t -58.39 -40.31 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 2.62 110.117 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.59 -40.11 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.045 -0.525 . . . . 2.34 110.806 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -65.54 -45.25 84.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.465 -0.334 . . . . 2.88 110.763 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 9.5 mp -61.53 -49.13 77.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.414 -0.357 . . . . 2.03 110.995 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 5.7 t -64.42 -35.73 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.401 -0.363 . . . . 1.96 110.572 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -68.41 -48.26 65.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.338 -0.392 . . . . 2.19 110.287 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -61.52 -37.06 82.34 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.188 -0.46 . . . . 2.9 110.956 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.6 mt -60.64 -46.8 88.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.92 0.391 . . . . 1.24 110.762 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.86 -48.08 69.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.918 -0.583 . . . . 3.31 111.261 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.465 ' HA ' HG23 ' A' ' 534' ' ' VAL . 3.7 mt-10 -67.54 -35.6 79.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.747 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -61.27 -39.39 90.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 2.61 110.083 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.422 ' O ' HG12 ' A' ' 537' ' ' VAL . 50.2 m -67.79 -43.91 78.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.36 -0.382 . . . . 0.59 111.677 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' A' ' 531' ' ' GLU . 26.8 m -65.41 -40.65 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 120.571 -0.452 . . . . 0.41 111.635 -176.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 7.4 pt-20 -72.85 -32.96 65.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.538 -0.465 . . . . 0.81 110.282 175.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.1 OUTLIER -69.82 -41.92 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.73 111.724 -179.184 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 538' ' ' THR . 33.1 m -65.37 -39.84 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.264 0.554 . . . . 0.59 109.85 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.472 ' N ' HG22 ' A' ' 537' ' ' VAL . 95.0 m -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.517 -0.765 . . . . 0.51 110.294 174.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.84 -44.53 80.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.733 -0.667 . . . . 0.65 109.776 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.0 mm100 -58.37 -33.36 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 2.26 110.971 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -63.24 -44.15 96.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.17 0.509 . . . . 1.86 109.937 175.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 538' ' ' THR . 20.3 mt-30 -66.67 -36.38 82.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.869 -0.605 . . . . 2.66 110.115 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.585 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.0 tt -67.73 -32.87 73.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.7 110.123 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.541 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 4.3 tt0 -59.77 -45.52 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.098 0.475 . . . . 2.24 109.737 173.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -64.64 -33.63 76.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.384 0.611 . . . . 2.6 110.027 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.585 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.9 t80 -67.46 -48.26 67.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.22 -0.9 . . . . 1.95 111.633 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 4.0 pp -64.71 -38.66 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 1.18 110.927 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.69 -35.69 81.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.397 -0.365 . . . . 2.23 110.546 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.42 88.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.475 -0.329 . . . . 1.35 110.714 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -57.31 -31.73 65.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.275 0.559 . . . . 2.85 110.74 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -70.91 -57.64 4.39 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.5 -0.773 . . . . 2.86 110.715 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 15.6 m -65.58 -33.69 76.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.054 0.391 . . . . 2.23 112.054 -176.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -88.45 -25.58 22.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 2.55 110.951 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -82.5 -34.02 23.77 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.924 -0.655 . . . . 2.98 112.411 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -63.68 -16.97 62.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.96 0.409 . . . . 4.05 111.355 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.2 t -98.83 94.84 6.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.23 0.538 . . . . 3.67 109.669 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.402 HD13 ' OXT' ' A' ' 557' ' ' LEU . 2.9 pp . . . . . 0 C--O 1.246 0.879 0 CA-C-N 115.676 -0.693 . . . . 6.19 110.655 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.821 -0.512 . . . . 9.39 111.821 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 9.2 t -83.73 153.9 23.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 7.62 109.933 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.67 -24.27 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.579 -0.737 . . . . 6.73 112.18 -173.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -56.83 -33.91 67.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.812 0.671 . . . . 7.4 112.812 -175.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 24.5 p -76.53 -48.99 17.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.899 0.38 . . . . 6.06 110.997 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.9 t -60.53 -38.78 85.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 5.37 110.62 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 52.1 ttm -61.41 -34.82 76.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.486 -0.324 . . . . 6.19 110.776 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.8 t -70.18 -48.01 59.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 4.85 110.454 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 522' ' ' VAL . 2.5 pp -67.44 -42.23 83.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.786 -0.365 . . . . 4.21 111.599 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.83 97.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.46 -0.336 . . . . 3.16 111.63 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 58.2 p -66.9 -36.1 81.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 3.2 110.11 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.07 -43.58 98.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 3.88 109.793 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 518' ' ' LEU . 99.6 t -61.44 -40.64 87.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.69 -0.686 . . . . 2.62 110.218 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.54 -42.51 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.12 -0.491 . . . . 2.34 111.249 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.72 -43.84 98.07 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.938 0.399 . . . . 2.88 110.695 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 5.3 mp -65.0 -45.27 86.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 2.03 110.83 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -33.72 76.28 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.047 -0.524 . . . . 1.96 110.279 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 15.9 tppt? -59.61 -48.81 80.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.83 -0.623 . . . . 2.19 109.923 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -68.61 -41.6 79.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.804 -0.634 . . . . 2.9 110.984 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 91.9 mt -60.74 -45.88 92.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 1.24 111.05 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -61.3 -44.33 97.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.926 -0.579 . . . . 3.31 110.723 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.553 ' HA ' HG23 ' A' ' 534' ' ' VAL . 45.3 mt-10 -65.22 -38.44 90.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.135 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.93 -37.01 86.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.183 0.516 . . . . 2.61 110.145 176.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.1 m -70.59 -46.96 62.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.787 -0.642 . . . . 0.59 111.094 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' A' ' 531' ' ' GLU . 28.9 m -63.25 -39.28 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 111.732 0.271 . . . . 0.41 111.732 -176.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 12.5 pt-20 -70.42 -34.07 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.81 110.45 177.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -71.69 -46.14 59.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.445 . . . . 1.73 111.119 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 534' ' ' VAL . 32.1 m -64.29 -39.23 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.928 -0.397 . . . . 0.59 109.928 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.457 ' N ' HG22 ' A' ' 537' ' ' VAL . 48.2 m -60.88 -42.57 98.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.675 -0.693 . . . . 0.51 110.821 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.504 -0.554 . . . . 0.65 109.504 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -61.82 -33.75 74.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 2.26 110.669 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.6 -42.31 91.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 1.86 109.968 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -67.94 -37.99 82.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 2.66 109.976 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.3 tt -67.65 -33.02 74.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.692 -0.685 . . . . 0.7 110.462 177.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.563 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 32.2 tt0 -62.16 -46.78 87.44 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.094 0.473 . . . . 2.24 109.784 175.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.54 -35.05 79.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.881 -0.6 . . . . 2.6 109.507 175.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.602 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.1 t80 -65.04 -49.43 70.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.742 -0.663 . . . . 1.95 111.398 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.4 pp -64.48 -37.78 88.72 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.684 0.278 . . . . 1.18 110.749 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.09 -36.54 83.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 2.23 110.796 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.49 97.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.415 -0.357 . . . . 1.35 110.423 176.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -57.39 -40.2 77.71 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.148 0.499 . . . . 2.85 110.393 174.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -62.9 -48.45 78.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.185 -0.916 . . . . 2.86 110.221 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.802 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 20.2 m -58.88 -49.06 79.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.178 -0.464 . . . . 2.23 110.837 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.06 -39.88 91.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.897 0.379 . . . . 2.55 110.894 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.55 -39.63 34.58 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.078 -0.582 . . . . 2.98 112.875 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 58.1 pttt -73.55 -19.79 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.698 -0.295 . . . . 4.05 110.679 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.3 t -74.47 83.55 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.25 0.548 . . . . 3.67 110.281 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 40.8 tp . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.159 -0.928 . . . . 6.19 108.791 176.741 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 111.687 -0.565 . . . . 9.39 111.687 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 43.7 m 60.24 40.26 18.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.441 0.638 . . . . 7.62 110.968 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.79 -31.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 6.73 109.694 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.3 -32.82 70.4 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.492 -0.776 . . . . 7.4 111.046 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 13.7 p -65.15 -49.41 69.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.36 -0.382 . . . . 6.06 111.45 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' CYS . . . . . 0.466 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 4.4 p -77.38 -28.3 52.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 5.37 111.211 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -63.89 -39.2 93.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.935 -0.395 . . . . 6.19 109.935 173.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 20.6 t -66.99 -45.01 78.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.889 -0.596 . . . . 4.85 111.524 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.9 pp -66.91 -38.24 85.85 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.67 -0.412 . . . . 4.21 111.441 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' ALA . . . . . 0.499 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -64.9 -43.42 92.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.203 -0.453 . . . . 3.16 111.585 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.4 p -66.31 -35.33 80.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 3.2 110.299 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -61.53 -45.65 93.27 Favored 'General case' 0 C--O 1.227 -0.131 0 N-CA-C 110.041 -0.355 . . . . 3.88 110.041 175.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 518' ' ' LEU . 98.9 t -58.56 -39.37 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.482 . . . . 2.62 110.288 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.48 -39.59 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.728 -0.669 . . . . 2.34 110.395 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -66.45 -42.52 87.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 2.88 111.154 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.6 mp -61.66 -36.73 81.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.873 0.368 . . . . 2.03 110.194 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -35.7 81.32 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.893 -0.594 . . . . 1.96 110.22 177.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.43 -43.47 90.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 2.19 109.996 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -62.41 -41.04 98.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.965 -0.561 . . . . 2.9 110.583 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.2 mt -61.16 -44.6 97.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.081 0.467 . . . . 1.24 110.361 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -57.76 -48.55 79.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.496 -0.774 . . . . 3.31 110.603 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 535' ' ' GLU . 44.9 mt-10 -64.43 -40.63 96.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.138 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -61.61 -39.67 92.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 2.61 110.342 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.3 m -69.86 -44.87 68.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.59 111.622 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 531' ' ' GLU . 26.9 m -64.13 -40.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.858 -0.337 . . . . 0.41 111.623 -176.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 7.2 pt-20 -72.91 -32.88 65.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.951 -0.468 . . . . 0.81 110.379 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.496 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.3 tmm_? -67.53 -45.83 74.58 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.617 -0.265 . . . . 1.73 111.015 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 538' ' ' THR . 32.3 m -62.31 -39.74 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.141 0.496 . . . . 0.59 110.01 177.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' THR . . . . . 0.465 ' N ' HG22 ' A' ' 537' ' ' VAL . 89.6 m -63.87 -38.58 91.62 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.51 110.472 175.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.8 -42.4 86.02 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.886 -0.597 . . . . 0.65 109.8 176.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 14.6 mm100 -61.9 -34.15 75.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 2.26 110.744 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -64.79 -42.01 95.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 1.86 109.628 175.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . 0.411 ' HA ' HE21 ' A' ' 545' ' ' GLN . 25.1 mt-30 -66.94 -38.71 86.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 2.66 110.168 175.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' LEU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.3 tt -67.12 -32.33 73.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.7 110.059 178.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 28.0 tt0 -61.14 -44.71 96.89 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.471 -0.566 . . . . 2.24 109.471 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' GLN . . . . . 0.411 HE21 ' HA ' ' A' ' 542' ' ' GLN . 48.6 mt-30 -64.98 -34.25 77.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.061 -0.518 . . . . 2.6 110.231 174.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' PHE . . . . . 0.642 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 3.1 t80 -66.47 -49.38 66.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.361 -0.836 . . . . 1.95 111.303 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.824 ' HA ' HE21 ' A' ' 550' ' ' GLN . 3.6 pp -64.2 -39.68 94.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.578 0.228 . . . . 1.18 110.543 177.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -61.96 -35.96 80.01 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.007 0.432 . . . . 2.23 110.954 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' ALA . . . . . 0.628 ' O ' ' HG2' ' A' ' 553' ' ' GLU . . . -62.23 -47.28 85.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.234 -0.439 . . . . 1.35 110.0 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' GLN . . . . . 0.824 HE21 ' HA ' ' A' ' 547' ' ' LEU . 42.1 mt-30 -57.61 -39.32 76.59 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.357 0.411 . . . . 2.85 110.431 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 75.0 mmtt -55.7 -62.18 1.86 Allowed 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.239 -0.652 . . . . 2.86 109.239 173.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 19.3 m -49.81 -37.48 30.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.535 -0.757 . . . . 2.23 112.248 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 549' ' ' ALA . 13.0 mm-40 -63.11 -66.23 0.57 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.013 0.435 . . . . 2.55 111.096 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.99 76.19 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.774 -0.648 . . . . 2.98 112.645 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -66.49 -36.04 81.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.883 0.373 . . . . 4.05 111.273 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' SER . . . . . 0.558 ' HB3' HD21 ' A' ' 557' ' ' LEU . 8.5 t -80.39 -48.25 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.906 0.384 . . . . 3.67 110.592 -176.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.558 HD21 ' HB3' ' A' ' 556' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.177 0 CA-C-O 119.2 -0.429 . . . . 6.19 110.461 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 . . . . . 0 CA--C 1.524 -0.031 0 CA-C-O 121.034 0.445 . . . . 2.2 110.155 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.414 ' O ' HG13 ' A' ' 537' ' ' VAL . 27.2 m -70.5 -47.71 59.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.047 -0.524 . . . . 0.53 111.225 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' VAL . . . . . 0.408 ' HA ' HG22 ' A' ' 537' ' ' VAL . 28.2 m -62.11 -39.45 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 N-CA-C 111.824 0.305 . . . . 0.36 111.824 -176.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.12 -37.08 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.747 -0.381 . . . . 0.81 110.427 177.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -68.82 -44.5 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 1.38 111.155 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 533' ' ' THR . 31.8 m -65.7 -38.83 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.828 0.346 . . . . 0.55 110.145 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 68.4 m -65.53 -37.85 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.807 -0.633 . . . . 0.4 110.86 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.409 ' C ' HD13 ' A' ' 539' ' ' LEU . 2.3 tm? -65.13 -46.36 81.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.359 -0.608 . . . . 0.52 109.359 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.37 -31.0 72.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.15 -0.477 . . . . 1.55 110.472 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.163 -0.471 . . . . 1.21 110.046 174.468 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--O 1.225 -0.196 0 N-CA-C 109.928 -0.397 . . . . 2.2 109.928 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.443 ' O ' HG13 ' A' ' 537' ' ' VAL . 36.7 m -65.59 -45.84 81.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.335 . . . . 0.53 111.03 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 m -66.13 -38.64 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 111.781 0.289 . . . . 0.36 111.781 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.3 -33.34 67.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.59 -0.444 . . . . 0.81 110.213 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.9 OUTLIER -71.5 -40.52 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.38 111.561 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 533' ' ' THR . 32.8 m -65.66 -39.26 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.152 0.501 . . . . 0.55 109.774 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 82.5 m -62.43 -37.83 87.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 0.4 110.265 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.446 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.8 tm? -65.6 -42.11 92.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.552 -0.536 . . . . 0.52 109.552 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 540' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 17.3 mm100 -62.13 -33.22 74.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.435 -0.348 . . . . 1.55 110.791 175.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 C--N 1.322 -0.6 0 CA-C-O 121.201 0.524 . . . . 1.21 109.89 174.638 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.225 -0.185 0 CA-C-O 120.57 0.224 . . . . 2.2 110.626 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 31.9 m -64.78 -46.36 82.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.488 -0.324 . . . . 0.53 111.086 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.14 -39.53 85.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 121.039 -0.264 . . . . 0.36 111.3 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.71 -32.64 65.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.613 -0.435 . . . . 0.81 110.326 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 2.8 tmm_? -67.03 -46.92 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 1.38 111.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 30.0 m -65.06 -39.5 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.151 0.501 . . . . 0.55 110.23 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 95.2 m -65.86 -38.28 88.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.4 110.495 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.46 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.8 tm? -64.08 -43.14 96.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.071 -0.513 . . . . 0.52 109.74 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 86.8 mm-40 -58.45 -36.73 74.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.573 -0.285 . . . . 1.55 110.941 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 47.3 t30 . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.402 0.62 . . . . 1.21 110.05 175.783 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.195 0 N-CA-C 109.073 -0.714 . . . . 2.2 109.073 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 24.5 m -72.06 -47.49 51.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.765 -0.652 . . . . 0.53 111.32 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 26.7 m -62.55 -38.9 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.644 0.239 . . . . 0.36 111.644 -176.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.55 -35.04 67.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.81 0.338 . . . . 0.81 110.466 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -67.62 -45.59 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.282 -0.417 . . . . 1.38 110.96 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.43 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.078 0.466 . . . . 0.55 110.067 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 74.2 m -63.27 -40.26 96.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.645 -0.707 . . . . 0.4 110.94 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.469 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.9 tm? -65.71 -44.73 85.23 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.373 -0.603 . . . . 0.52 109.373 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.52 -26.2 68.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.434 . . . . 1.55 110.931 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 109.65 -0.5 . . . . 1.21 109.65 175.731 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 532' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 535' ' ' GLU . 33.6 tt0 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.074 0.464 . . . . 2.2 110.642 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.524 HG23 ' HE ' ' A' ' 536' ' ' ARG . 57.5 m -73.4 -38.81 65.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.363 -0.381 . . . . 0.53 111.567 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' VAL . . . . . 0.461 ' HA ' HG22 ' A' ' 537' ' ' VAL . 27.2 m -64.32 -39.12 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 120.628 -0.429 . . . . 0.36 111.245 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 535' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 532' ' ' GLN . 0.0 OUTLIER -71.26 -31.69 67.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.159 0.504 . . . . 0.81 110.222 175.785 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 536' ' ' ARG . . . . . 0.524 ' HE ' HG23 ' A' ' 533' ' ' THR . 5.3 tmm_? -70.1 -45.08 67.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.597 -0.728 . . . . 1.38 111.188 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 534' ' ' VAL . 29.0 m -66.34 -39.0 83.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.55 110.04 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.1 m -58.94 -37.2 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.885 -0.598 . . . . 0.4 110.782 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.43 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.9 tm? -65.52 -43.57 89.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.503 -0.554 . . . . 0.52 109.503 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -65.33 -29.48 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 1.55 110.457 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 109.589 -0.523 . . . . 1.21 109.589 175.033 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.779 0.323 . . . . 2.2 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 34.8 m -75.27 -45.56 39.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.612 -0.267 . . . . 0.53 111.502 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 27.2 m -60.48 -40.27 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.844 -0.342 . . . . 0.36 111.312 -176.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -73.29 -36.65 66.33 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.51 -0.476 . . . . 0.81 110.7 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -65.79 -45.35 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.659 -0.246 . . . . 1.38 111.381 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 27.8 m -64.73 -39.26 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.55 110.153 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 69.4 m -63.79 -38.67 91.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.4 110.744 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.471 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.9 tm? -65.48 -43.03 91.49 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.691 -0.485 . . . . 0.52 109.691 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.79 -31.7 72.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.906 0.384 . . . . 1.55 110.755 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.017 -0.538 . . . . 1.21 109.806 173.625 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 . . . . . 0 C--O 1.226 -0.182 0 CA-C-O 121.068 0.461 . . . . 2.2 110.22 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.5 m -66.3 -46.51 76.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.53 111.153 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 32.6 m -63.88 -39.45 85.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.801 0.297 . . . . 0.36 111.801 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.36 -33.64 65.18 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.332 -0.547 . . . . 0.81 110.538 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 8.6 tmm_? -68.11 -43.02 79.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.813 -0.176 . . . . 1.38 111.154 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.44 -39.5 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.218 0.532 . . . . 0.55 110.026 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 93.5 m -64.35 -38.38 90.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 0.4 110.151 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.4 tm? -62.03 -39.31 91.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.671 -0.492 . . . . 0.52 109.671 175.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.3 mm100 -58.67 -37.77 76.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.219 -0.446 . . . . 1.55 110.843 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 60.0 t30 . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 1.21 109.946 176.202 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 121.127 0.489 . . . . 2.2 110.358 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 25.2 m -72.57 -45.47 59.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.004 -0.543 . . . . 0.53 111.347 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 28.9 m -62.59 -39.0 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 111.726 0.269 . . . . 0.36 111.726 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.47 -34.8 67.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.706 -0.398 . . . . 0.81 110.3 176.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.5 tmm_? -68.71 -44.91 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 1.38 111.178 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 28.7 m -65.36 -39.11 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.043 0.449 . . . . 0.55 110.295 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 76.8 m -65.94 -38.97 90.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.774 -0.648 . . . . 0.4 110.829 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.418 ' C ' HD13 ' A' ' 539' ' ' LEU . 2.2 tm? -62.07 -45.91 91.44 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.264 -0.643 . . . . 0.52 109.264 176.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 84.6 mm-40 -63.83 -27.91 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 1.55 111.221 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.297 -0.411 . . . . 1.21 110.132 174.81 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.788 0.328 . . . . 2.2 110.134 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.9 m -69.28 -48.36 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.019 -0.537 . . . . 0.53 111.114 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.58 -39.02 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.828 0.307 . . . . 0.36 111.828 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.73 -33.31 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.675 -0.41 . . . . 0.81 110.295 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.51 -47.02 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 1.38 111.07 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 24.6 m -63.35 -39.63 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.55 110.131 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 97.8 m -65.05 -38.41 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.4 110.82 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.451 ' C ' HD13 ' A' ' 539' ' ' LEU . 2.0 tm? -68.38 -44.18 75.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.621 -0.511 . . . . 0.52 109.621 178.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -61.8 -32.66 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.155 -0.475 . . . . 1.55 110.742 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 . . . . . 0 C--N 1.325 -0.482 0 N-CA-C 109.493 -0.558 . . . . 1.21 109.493 175.905 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.781 0.324 . . . . 2.2 110.644 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.464 HG23 ' NH2' ' A' ' 536' ' ' ARG . 29.7 m -70.54 -48.25 56.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.352 -0.385 . . . . 0.53 111.033 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.52 -39.52 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 111.916 0.339 . . . . 0.36 111.916 -175.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.48 -32.45 64.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.921 -0.487 . . . . 0.81 110.73 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' ARG . . . . . 0.464 ' NH2' HG23 ' A' ' 533' ' ' THR . 5.8 tmm_? -68.44 -45.35 72.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 1.38 111.15 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.3 m -62.64 -39.72 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.128 0.489 . . . . 0.55 109.978 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 86.6 m -63.59 -37.49 87.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.62 -0.718 . . . . 0.4 110.683 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.458 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.8 tm? -65.14 -44.49 88.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.492 -0.559 . . . . 0.52 109.492 176.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -63.76 -32.93 74.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 1.55 110.514 176.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.21 110.098 174.91 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.836 0.351 . . . . 2.2 110.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 32.8 m -73.21 -44.67 59.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.498 -0.319 . . . . 0.53 111.153 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.85 -38.38 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 121.153 -0.219 . . . . 0.36 111.35 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.61 -36.29 70.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.718 -0.393 . . . . 0.81 110.309 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -66.87 -43.89 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 1.38 111.009 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.04 -38.91 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.55 110.124 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 75.2 m -64.21 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.756 -0.656 . . . . 0.4 111.06 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.47 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.7 tm? -62.78 -44.23 96.74 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.239 -0.652 . . . . 0.52 109.239 175.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -64.48 -31.59 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 1.55 110.583 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 8.8 t30 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.872 -0.603 . . . . 1.21 109.981 175.235 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.781 0.324 . . . . 2.2 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 45.0 m -70.3 -45.71 65.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.439 -0.346 . . . . 0.53 111.281 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 34.9 m -63.04 -40.18 88.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 121.025 -0.27 . . . . 0.36 111.67 -175.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 536' ' ' ARG . 4.6 pt-20 -72.61 -36.77 68.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.388 -0.525 . . . . 0.81 110.373 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 536' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 535' ' ' GLU . 7.2 tmm_? -66.63 -44.28 82.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.38 111.365 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.98 -39.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.55 110.298 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 30.8 m -63.92 -37.8 88.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 0.4 110.741 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.8 tm? -63.02 -44.11 96.87 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.6 -0.519 . . . . 0.52 109.6 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.75 -34.61 78.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.05 -0.523 . . . . 1.55 110.767 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 . . . . . 0 C--N 1.326 -0.419 0 N-CA-C 109.626 -0.509 . . . . 1.21 109.626 174.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 110.083 -0.34 . . . . 2.2 110.083 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 537' ' ' VAL . 50.2 m -67.79 -43.91 78.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.36 -0.382 . . . . 0.53 111.677 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.41 -40.65 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 120.571 -0.452 . . . . 0.36 111.635 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.85 -32.96 65.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.538 -0.465 . . . . 0.81 110.282 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.1 OUTLIER -69.82 -41.92 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.38 111.724 -179.184 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 533' ' ' THR . 33.1 m -65.37 -39.84 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.264 0.554 . . . . 0.55 109.85 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 95.0 m -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.517 -0.765 . . . . 0.4 110.294 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.41 ' C ' HD13 ' A' ' 539' ' ' LEU . 2.2 tm? -66.84 -44.53 80.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.733 -0.667 . . . . 0.52 109.776 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 540' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.0 mm100 -58.37 -33.36 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 1.55 110.971 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.17 0.509 . . . . 1.21 109.937 175.186 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.183 0.516 . . . . 2.2 110.145 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.1 m -70.59 -46.96 62.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.787 -0.642 . . . . 0.53 111.094 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 534' ' ' VAL . . . . . 0.481 ' HA ' HG22 ' A' ' 537' ' ' VAL . 28.9 m -63.25 -39.28 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 111.732 0.271 . . . . 0.36 111.732 -176.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.42 -34.07 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.81 110.45 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -71.69 -46.14 59.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.445 . . . . 1.38 111.119 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 534' ' ' VAL . 32.1 m -64.29 -39.23 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.928 -0.397 . . . . 0.55 109.928 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 48.2 m -60.88 -42.57 98.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.675 -0.693 . . . . 0.4 110.821 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.454 ' C ' HD13 ' A' ' 539' ' ' LEU . 2.2 tm? -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.504 -0.554 . . . . 0.52 109.504 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.82 -33.75 74.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 1.55 110.669 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 66.2 t30 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 1.21 109.968 177.516 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.98 0.419 . . . . 2.2 110.342 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.3 m -69.86 -44.87 68.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.53 111.622 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.13 -40.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.858 -0.337 . . . . 0.36 111.623 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.91 -32.88 65.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.951 -0.468 . . . . 0.81 110.379 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 536' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.3 tmm_? -67.53 -45.83 74.58 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.617 -0.265 . . . . 1.38 111.015 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.3 m -62.31 -39.74 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.141 0.496 . . . . 0.55 110.01 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 89.6 m -63.87 -38.58 91.62 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.4 110.472 175.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 539' ' ' LEU . . . . . 0.463 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.6 tm? -66.8 -42.4 86.02 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.886 -0.597 . . . . 0.52 109.8 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 540' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 85.4 mm-40 -61.9 -34.15 75.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 1.55 110.744 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 1.21 109.628 175.541 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 111.773 -0.531 . . . . 9.1 111.773 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 22.7 t 73.1 -28.92 0.19 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.66 0.784 . . . . 7.47 112.326 176.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 5.0 p -57.08 -44.46 83.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 111.958 0.355 . . . . 6.4 111.958 -176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -37.16 86.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.84 0.352 . . . . 7.4 111.004 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 35.2 m -74.95 -47.83 27.55 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.083 -0.508 . . . . 5.7 110.933 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.47 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 43.4 t -69.12 -34.44 75.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.791 -0.64 . . . . 4.96 110.943 -176.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 49.5 ttm -59.71 -34.52 73.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.602 0.239 . . . . 5.8 110.707 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 16.6 m -69.75 -49.21 55.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.901 0.382 . . . . 4.52 110.932 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.5 pp -67.94 -41.31 82.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.865 0.364 . . . . 3.86 111.486 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.511 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -64.73 -40.5 95.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.88 -0.6 . . . . 2.96 111.448 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' SER . . . . . 0.422 ' HA ' ' HB ' ' A' ' 523' ' ' VAL . 37.5 p -66.06 -36.88 84.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.505 -0.478 . . . . 2.98 110.654 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -61.92 -44.65 96.35 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.774 -0.371 . . . . 3.85 110.06 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 518' ' ' LEU . 89.9 t -58.98 -39.47 78.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 2.07 110.025 173.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' VAL . . . . . 0.637 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.7 t -60.92 -39.74 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.618 -0.719 . . . . 1.98 111.137 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 528' ' ' GLN . 2.0 mptm? -60.02 -45.01 94.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.693 0.282 . . . . 2.48 110.602 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 9.7 mp -65.38 -48.22 73.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.47 -0.332 . . . . 1.62 111.226 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 523' ' ' VAL . 10.7 t -65.87 -32.95 74.75 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.948 -0.301 . . . . 1.4 110.52 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 527' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 17.0 tppt? -63.07 -48.63 77.85 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.552 -0.295 . . . . 1.6 110.441 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 524' ' ' LYS . 75.2 mt-30 -64.92 -37.19 86.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 2.56 110.812 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 526' ' ' THR . 96.3 mt -60.99 -46.08 92.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.147 0.498 . . . . 0.69 110.312 176.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 530' ' ' LYS . 33.0 mmtp -64.21 -42.22 96.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.769 -0.651 . . . . 2.78 110.898 178.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 527' ' ' LYS . 47.4 mt-10 -62.37 -44.97 95.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.86 -0.154 . . . . 1.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -61.65 -38.52 88.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.034 0.445 . . . . 2.2 110.155 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.414 ' O ' HG13 ' A' ' 537' ' ' VAL . 27.2 m -70.5 -47.71 59.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.047 -0.524 . . . . 0.53 111.225 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 531' ' ' GLU . 28.2 m -62.11 -39.45 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 N-CA-C 111.824 0.305 . . . . 0.36 111.824 -176.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.8 pt-20 -72.12 -37.08 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.747 -0.381 . . . . 0.81 110.427 177.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -68.82 -44.5 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 1.38 111.155 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 533' ' ' THR . 31.8 m -65.7 -38.83 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.828 0.346 . . . . 0.55 110.145 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.457 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 68.4 m -65.53 -37.85 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.807 -0.633 . . . . 0.4 110.86 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.3 tm? -65.13 -46.36 81.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.359 -0.608 . . . . 0.52 109.359 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.37 -31.0 72.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.15 -0.477 . . . . 1.55 110.472 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ASN . . . . . 0.438 ' O ' ' HG3' ' A' ' 545' ' ' GLN . 27.2 t-20 -64.61 -42.55 95.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.163 -0.471 . . . . 1.21 110.046 174.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 538' ' ' THR . 53.2 mt-30 -63.63 -38.86 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 1.98 109.829 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.5 tt -67.5 -32.62 73.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 0.61 109.934 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.509 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 43.6 tt0 -62.58 -45.91 90.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 1.64 109.51 174.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 541' ' ' ASN . 69.7 mt-30 -60.87 -36.07 78.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.971 -0.559 . . . . 2.2 109.872 174.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.552 ' O ' ' HG2' ' A' ' 550' ' ' GLN . 1.6 t80 -67.35 -50.94 57.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.56 -0.746 . . . . 1.38 110.876 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.8 pp -64.63 -35.44 81.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.738 0.304 . . . . 0.89 110.227 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.47 -45.83 92.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.574 . . . . 2.23 111.053 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.52 75.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.988 0.423 . . . . 1.35 110.702 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 546' ' ' PHE . 80.3 mm-40 -68.36 -47.57 67.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.241 0.543 . . . . 2.38 110.427 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -20.03 61.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.822 -0.626 . . . . 2.36 109.929 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.527 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 68.7 m -68.03 -28.11 67.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.308 -0.406 . . . . 2.23 110.43 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -81.78 -36.16 28.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.17 0.509 . . . . 2.55 109.946 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.84 -31.09 70.02 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.477 -0.783 . . . . 2.98 112.579 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 61.5 pttt -78.55 -7.56 57.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.236 0.541 . . . . 3.58 110.6 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 19.9 t -99.18 161.07 13.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.607 -0.724 . . . . 3.67 109.95 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--O 1.244 0.768 0 CA-C-O 118.574 -0.727 . . . . 5.74 109.632 179.048 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.767 -0.533 . . . . 9.1 111.767 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 70.2 m -153.72 84.75 1.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.017 0.437 . . . . 7.47 110.31 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.25 -54.01 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.095 -0.502 . . . . 6.4 109.809 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 513' ' ' GLU . 0.1 OUTLIER -65.45 -39.71 92.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.417 -0.81 . . . . 7.4 110.447 179.612 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 514' ' ' THR . . . . . 0.463 ' O ' ' HG ' ' A' ' 518' ' ' LEU . 0.8 OUTLIER -69.31 -46.61 66.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.159 -0.473 . . . . 5.7 110.882 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 40.6 t -62.15 -39.78 93.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 4.96 110.65 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 42.6 ttm -62.36 -41.56 98.7 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.85 -0.34 . . . . 5.8 110.507 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 46.4 t -66.75 -47.98 70.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 4.52 110.854 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.7 pp -67.11 -40.76 86.92 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.806 -0.358 . . . . 3.86 111.626 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.567 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.87 -40.23 96.87 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.241 0.338 . . . . 2.96 111.205 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 49.9 m -63.88 -40.0 95.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.319 -0.252 . . . . 2.98 110.319 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLN . . . . . 0.407 ' O ' HD13 ' A' ' 525' ' ' LEU . 20.8 mm-40 -65.67 -38.34 89.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.689 -0.232 . . . . 3.85 110.42 176.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 518' ' ' LEU . 89.2 t -61.1 -40.35 85.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.019 0.437 . . . . 2.07 109.864 173.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' VAL . . . . . 0.55 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.5 t -62.41 -41.09 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.851 -0.613 . . . . 1.98 111.05 176.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.51 -41.45 93.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.974 0.416 . . . . 2.48 110.437 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 521' ' ' GLN . 5.9 mp -64.02 -48.56 75.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 1.62 110.795 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 523' ' ' VAL . 7.6 t -64.37 -33.57 76.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.987 -0.285 . . . . 1.4 110.281 -178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.01 -50.43 68.53 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.984 0.421 . . . . 1.6 110.207 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -69.36 -47.82 63.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.71 -0.677 . . . . 2.56 110.824 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.47 -47.0 68.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.03 0.382 . . . . 0.69 112.03 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -60.9 -48.73 80.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.675 0.274 . . . . 2.78 110.606 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.54 ' HA ' HG22 ' A' ' 534' ' ' VAL . 31.9 mt-10 -71.36 -34.22 70.26 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.141 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -61.34 -38.0 85.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.928 -0.397 . . . . 2.2 109.928 172.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.443 ' O ' HG13 ' A' ' 537' ' ' VAL . 36.7 m -65.59 -45.84 81.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.335 . . . . 0.53 111.03 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 531' ' ' GLU . 35.6 m -66.13 -38.64 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 111.781 0.289 . . . . 0.36 111.781 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 10.8 pt-20 -72.3 -33.34 67.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.59 -0.444 . . . . 0.81 110.213 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.9 OUTLIER -71.5 -40.52 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.38 111.561 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 533' ' ' THR . 32.8 m -65.66 -39.26 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.152 0.501 . . . . 0.55 109.774 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 82.5 m -62.43 -37.83 87.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 0.4 110.265 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.446 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.8 tm? -65.6 -42.11 92.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.552 -0.536 . . . . 0.52 109.552 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 17.3 mm100 -62.13 -33.22 74.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.435 -0.348 . . . . 1.55 110.791 175.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ASN . . . . . 0.434 ' O ' ' HB3' ' A' ' 544' ' ' GLN . 2.9 t-20 -63.48 -42.91 98.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.201 0.524 . . . . 1.21 109.89 174.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -63.87 -39.03 93.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.605 -0.725 . . . . 1.98 109.965 175.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.1 tt -67.75 -32.14 72.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.686 . . . . 0.61 110.244 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.622 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 60.5 tt0 -60.78 -46.17 91.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 1.64 110.144 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -60.11 -37.27 79.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.568 0.699 . . . . 2.2 110.019 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.466 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.0 t80 -68.01 -46.01 72.47 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.191 -0.913 . . . . 1.38 111.648 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.4 pp -64.9 -35.22 80.44 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.106 -0.371 . . . . 0.89 110.704 176.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.03 -36.75 77.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.271 -0.422 . . . . 2.23 111.095 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.95 86.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 1.35 110.225 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -60.63 -37.26 80.87 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.095 0.474 . . . . 2.38 110.434 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 73.8 mmtt -67.82 -43.41 79.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.083 -0.508 . . . . 2.36 110.229 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.503 ' HA ' ' HE3' ' A' ' 555' ' ' LYS . 16.7 m -72.66 -46.17 55.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.614 . . . . 2.23 111.399 -177.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.96 -34.69 62.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.011 0.434 . . . . 2.55 110.831 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.16 -41.5 92.24 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.931 -0.577 . . . . 2.98 112.437 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 552' ' ' SER . 19.5 pttp -69.91 -20.73 63.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.801 0.334 . . . . 3.58 110.871 178.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 33.2 t -72.38 130.62 41.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.029 0.442 . . . . 3.67 110.712 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 58.0 tp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.746 -0.645 . . . . 5.74 109.595 179.603 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 510' ' ' GLY . . . . . 0.663 ' N ' ' HG1' ' A' ' 514' ' ' THR . . . . . . . . 0 N--CA 1.478 1.441 0 N-CA-C 111.889 -0.484 . . . . 9.1 111.889 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 16.2 m -92.36 -65.96 0.96 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.834 0.35 . . . . 7.47 111.602 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 62.7 t -99.75 -54.98 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.457 0.54 . . . . 6.4 112.457 -171.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -47.93 76.85 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.73 0.641 . . . . 7.4 112.73 -168.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' THR . . . . . 0.663 ' HG1' ' N ' ' A' ' 510' ' ' GLY . 9.7 p -66.15 -47.83 72.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.705 0.288 . . . . 5.7 111.511 -176.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 17.8 m -64.51 -37.04 86.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.099 -0.5 . . . . 4.96 110.507 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.2 -42.48 96.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 5.8 110.751 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 49.7 m -66.62 -46.73 74.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.672 -0.24 . . . . 4.52 111.617 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.5 pp -65.36 -38.84 91.26 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.691 -0.404 . . . . 3.86 111.361 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.562 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -65.71 -42.35 91.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.455 -0.338 . . . . 2.96 110.619 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 48.4 m -63.94 -37.7 88.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 2.98 110.301 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -61.95 -46.05 90.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.124 -0.489 . . . . 3.85 109.756 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 518' ' ' LEU . 88.8 t -58.57 -41.15 81.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.03 -0.532 . . . . 2.07 110.326 175.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' VAL . . . . . 0.415 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.7 t -63.65 -40.08 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.653 -0.703 . . . . 1.98 110.77 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -65.25 -38.47 90.42 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.204 -0.199 . . . . 2.48 110.918 175.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 7.9 mp -63.33 -49.27 74.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.677 0.275 . . . . 1.62 110.765 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.452 ' HA ' HD12 ' A' ' 529' ' ' LEU . 6.7 t -66.83 -34.41 77.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 1.4 110.494 -177.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -64.19 -48.23 76.73 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.049 0.452 . . . . 1.6 110.117 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -63.34 -37.56 87.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.626 -0.715 . . . . 2.56 110.956 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.4 mt -60.99 -47.0 88.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.533 0.206 . . . . 0.69 111.014 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -61.84 -48.65 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 2.78 111.297 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.16 -35.76 78.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.827 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -63.86 -39.59 94.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.451 -0.34 . . . . 2.2 110.626 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 31.9 m -64.78 -46.36 82.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.488 -0.324 . . . . 0.53 111.086 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.14 -39.53 85.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 121.039 -0.264 . . . . 0.36 111.3 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.71 -32.64 65.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.613 -0.435 . . . . 0.81 110.326 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 2.8 tmm_? -67.03 -46.92 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 1.38 111.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 30.0 m -65.06 -39.5 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.151 0.501 . . . . 0.55 110.23 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 95.2 m -65.86 -38.28 88.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.4 110.495 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.46 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.8 tm? -64.08 -43.14 96.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.071 -0.513 . . . . 0.52 109.74 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 86.8 mm-40 -58.45 -36.73 74.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.573 -0.285 . . . . 1.55 110.941 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -63.65 -46.0 87.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.402 0.62 . . . . 1.21 110.05 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -64.38 -41.32 96.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.715 -0.675 . . . . 1.98 110.142 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.805 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 7.9 tt -67.24 -32.77 74.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.61 110.623 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.474 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 47.9 tt0 -59.69 -45.61 91.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.5 -0.556 . . . . 1.64 109.5 174.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.52 -35.97 78.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.632 -0.713 . . . . 2.2 110.288 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.805 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.0 t80 -62.47 -49.44 75.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.627 -0.715 . . . . 1.38 111.375 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.6 pp -64.74 -39.52 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.815 0.34 . . . . 0.89 110.591 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -61.53 -37.7 84.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 2.23 110.691 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.56 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 1.35 110.243 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 546' ' ' PHE . 85.5 mm-40 -59.39 -33.7 71.53 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.951 0.405 . . . . 2.38 110.975 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 74.9 mmtt -62.56 -53.57 52.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.085 -0.507 . . . . 2.36 110.344 175.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 48.6 m -65.95 -36.1 82.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.026 -0.534 . . . . 2.23 111.536 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.21 -37.1 69.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.946 0.403 . . . . 2.55 110.776 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -79.71 -37.05 24.21 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 116.006 -0.543 . . . . 2.98 112.823 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.21 -26.86 65.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 3.58 110.831 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 9.4 t -97.57 -173.05 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.822 0.344 . . . . 3.67 110.456 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.268 -0.873 . . . . 5.74 109.678 178.493 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 112.171 -0.372 . . . . 9.1 112.171 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 18.1 p -115.65 8.37 15.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.866 0.365 . . . . 7.47 111.055 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.06 -56.21 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.452 -0.34 . . . . 6.4 111.054 -176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 513' ' ' GLU . 1.5 pm0 -60.55 -34.11 73.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 7.4 111.993 -173.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 10.0 p -66.86 -52.19 46.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.666 0.27 . . . . 5.7 111.284 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 16.8 m -70.14 -33.67 72.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.293 0.568 . . . . 4.96 110.034 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.53 -33.39 73.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.183 -0.462 . . . . 5.8 110.29 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 38.8 t -67.78 -47.24 69.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 4.52 110.831 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.7 pp -66.34 -40.51 89.9 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.775 -0.37 . . . . 3.86 111.148 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.561 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -63.32 -40.09 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.368 -0.378 . . . . 2.96 110.941 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 8.5 t -63.84 -39.04 93.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.073 0.463 . . . . 2.98 110.227 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -63.98 -45.72 87.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.987 -0.551 . . . . 3.85 110.749 176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 518' ' ' LEU . 85.0 t -58.97 -40.72 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.13 0.49 . . . . 2.07 110.062 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.05 -39.9 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 115.635 -0.711 . . . . 1.98 110.545 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -62.17 -45.25 94.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 2.48 111.096 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.2 mp -63.9 -39.98 95.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 1.62 110.649 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 1.2 m -69.61 -39.9 76.94 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 116.052 -0.522 . . . . 1.4 110.358 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 16.6 tppt? -63.27 -42.74 99.17 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.81 -0.441 . . . . 1.6 109.81 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.74 -46.21 91.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.585 -0.734 . . . . 2.56 110.616 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 96.5 mt -60.69 -45.72 93.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.69 110.475 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -59.43 -44.63 92.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.586 . . . . 2.78 110.955 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.495 ' HA ' HG22 ' A' ' 534' ' ' VAL . 42.5 mt-10 -66.08 -38.84 89.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.857 0.361 . . . . 1.0 110.864 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -33.75 74.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.073 -0.714 . . . . 2.2 109.073 175.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 24.5 m -72.06 -47.49 51.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.765 -0.652 . . . . 0.53 111.32 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' A' ' 531' ' ' GLU . 26.7 m -62.55 -38.9 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.644 0.239 . . . . 0.36 111.644 -176.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.55 -35.04 67.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.81 0.338 . . . . 0.81 110.466 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -67.62 -45.59 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.282 -0.417 . . . . 1.38 110.96 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.43 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.078 0.466 . . . . 0.55 110.067 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 74.2 m -63.27 -40.26 96.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.645 -0.707 . . . . 0.4 110.94 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.469 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.9 tm? -65.71 -44.73 85.23 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.373 -0.603 . . . . 0.52 109.373 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.52 -26.2 68.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.434 . . . . 1.55 110.931 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 544' ' ' GLN . 7.1 t30 -71.0 -39.44 72.43 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.65 -0.5 . . . . 1.21 109.65 175.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 538' ' ' THR . 88.6 mt-30 -68.83 -36.18 77.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.076 -0.511 . . . . 1.98 109.767 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.498 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.6 tt -67.81 -32.63 73.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 0.61 109.669 174.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.616 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 27.8 tt0 -62.14 -45.83 91.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.097 -0.502 . . . . 1.64 109.654 174.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -60.19 -37.02 78.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.798 -0.637 . . . . 2.2 110.033 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.498 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.7 t80 -65.59 -49.55 68.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.421 -0.809 . . . . 1.38 111.117 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.6 pp -64.74 -34.6 78.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.554 0.216 . . . . 0.89 110.877 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.0 -40.25 95.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.237 -0.438 . . . . 2.23 110.866 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.69 89.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 1.35 109.965 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.18 -37.61 80.72 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.049 -0.523 . . . . 2.38 110.335 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 45.8 mmtm -65.34 -55.49 17.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 2.36 110.322 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 20.1 m -58.94 -27.76 65.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 2.23 112.19 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -87.44 -45.5 10.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 2.55 110.999 177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.29 -22.77 78.49 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 116.01 -0.541 . . . . 2.98 113.16 -175.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -73.5 -15.61 61.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.124 0.488 . . . . 3.58 110.646 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.0 t -91.28 106.48 18.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.944 -0.571 . . . . 3.67 110.121 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.698 HD23 ' H ' ' A' ' 557' ' ' LEU . 1.5 pt? . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.481 -0.771 . . . . 5.74 110.132 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 112.423 -0.271 . . . . 9.1 112.423 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 25.4 m -96.5 27.82 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.793 0.33 . . . . 7.47 110.606 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 512' ' ' VAL . 4.8 t 63.34 17.84 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.777 0.799 . . . . 6.4 110.19 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 513' ' ' GLU . . . . . 0.419 ' HG2' HG23 ' A' ' 514' ' ' THR . 0.1 OUTLIER -66.27 -42.16 88.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.618 -0.719 . . . . 7.4 110.855 -176.749 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 514' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 513' ' ' GLU . 25.5 p -90.43 -37.24 14.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.945 -0.57 . . . . 5.7 110.553 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.512 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 51.7 t -63.44 -37.81 88.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.349 -0.841 . . . . 4.96 111.007 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 55.8 ttp -61.89 -36.5 81.48 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.719 -0.392 . . . . 5.8 110.394 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 27.4 m -69.88 -47.07 63.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 4.52 111.281 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.8 pp -67.94 -43.26 79.53 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.734 -0.386 . . . . 3.86 111.701 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.569 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.43 -42.89 99.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 -0.267 . . . . 2.96 111.452 -178.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 45.5 p -67.15 -35.7 80.26 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.315 -0.254 . . . . 2.98 110.315 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.71 -47.37 83.89 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.778 -0.453 . . . . 3.85 109.778 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 518' ' ' LEU . 97.2 t -58.23 -40.51 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.089 0.471 . . . . 2.07 110.237 175.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 3.1 t -62.39 -40.43 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.818 -0.628 . . . . 1.98 110.754 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.93 -39.45 93.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.647 -0.251 . . . . 2.48 111.056 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.1 mp -61.84 -41.27 97.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.883 0.373 . . . . 1.62 110.158 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -36.55 80.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.048 -0.524 . . . . 1.4 110.158 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 4.5 tppp? -65.73 -45.88 80.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 1.6 110.013 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -60.83 -43.76 97.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.827 -0.624 . . . . 2.56 110.58 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.8 mt -60.82 -45.12 95.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.231 0.538 . . . . 0.69 110.646 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' LYS . . . . . 0.414 ' HB2' ' HE2' ' A' ' 530' ' ' LYS . 25.6 ttmm -63.26 -48.3 78.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.703 . . . . 2.78 111.075 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.542 ' HA ' HG22 ' A' ' 534' ' ' VAL . 54.0 mt-10 -63.16 -36.63 84.25 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.202 0.525 . . . . 1.0 110.725 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 535' ' ' GLU . 33.6 tt0 -65.89 -40.19 91.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.809 -0.632 . . . . 2.2 110.642 175.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.524 HG23 ' HE ' ' A' ' 536' ' ' ARG . 57.5 m -73.4 -38.81 65.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.363 -0.381 . . . . 0.53 111.567 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 531' ' ' GLU . 27.2 m -64.32 -39.12 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 120.628 -0.429 . . . . 0.36 111.245 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 532' ' ' GLN . 0.0 OUTLIER -71.26 -31.69 67.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.159 0.504 . . . . 0.81 110.222 175.785 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.524 ' HE ' HG23 ' A' ' 533' ' ' THR . 5.3 tmm_? -70.1 -45.08 67.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.597 -0.728 . . . . 1.38 111.188 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 534' ' ' VAL . 29.0 m -66.34 -39.0 83.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.55 110.04 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 52.1 m -58.94 -37.2 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.885 -0.598 . . . . 0.4 110.782 175.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.43 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.9 tm? -65.52 -43.57 89.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.503 -0.554 . . . . 0.52 109.503 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -65.33 -29.48 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 1.55 110.457 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 545' ' ' GLN . 43.8 t-20 -68.78 -39.53 80.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.589 -0.523 . . . . 1.21 109.589 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 538' ' ' THR . 31.1 mm-40 -61.02 -39.9 91.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.317 -0.623 . . . . 1.98 109.317 173.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.574 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.7 tt -68.43 -35.77 78.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.517 -0.765 . . . . 0.61 110.415 176.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.599 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 32.9 tt0 -59.93 -46.57 88.97 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.283 0.563 . . . . 1.64 109.515 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 541' ' ' ASN . 75.7 mt-30 -64.4 -32.98 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.484 -0.78 . . . . 2.2 110.214 175.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.574 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 0.9 OUTLIER -65.15 -50.57 65.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 1.38 110.866 177.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.8 pp -64.85 -38.09 89.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.89 110.512 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.34 -34.45 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.294 -0.412 . . . . 2.23 110.997 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.16 77.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.977 0.418 . . . . 1.35 110.127 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' GLN . . . . . 0.496 ' OE1' ' HA ' ' A' ' 547' ' ' LEU . 47.5 mt-30 -66.74 -42.81 85.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 2.38 109.81 173.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 75.0 mmtt -60.95 -40.73 94.44 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.878 -0.601 . . . . 2.36 110.309 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 22.5 m -55.66 -36.37 67.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.939 -0.573 . . . . 2.23 110.785 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -79.69 -46.55 16.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.44 . . . . 2.55 110.452 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.77 72.74 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.534 -0.757 . . . . 2.98 113.498 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -75.75 -12.71 60.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.03 0.443 . . . . 3.58 110.645 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 18.9 t -97.66 -42.7 7.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.856 -0.611 . . . . 3.67 109.662 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.323 -0.846 . . . . 5.74 109.142 179.317 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.87 -0.492 . . . . 9.1 111.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 2.8 p -112.29 -14.38 13.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.543 0.211 . . . . 7.47 111.369 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 25.3 t -59.51 -41.58 85.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.441 -0.345 . . . . 6.4 110.397 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 514' ' ' THR . 7.1 pt-20 -56.33 -42.41 77.65 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.084 -0.507 . . . . 7.4 110.789 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 514' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 513' ' ' GLU . 2.6 m -66.56 -52.12 49.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.966 -0.561 . . . . 5.7 110.707 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.409 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 58.9 m -62.64 -36.64 83.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 4.96 111.355 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -63.05 -42.11 99.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.034 0.445 . . . . 5.8 109.989 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 25.1 m -67.5 -47.35 70.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.599 . . . . 4.52 111.198 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.8 pp -66.86 -41.71 86.88 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.071 -0.252 . . . . 3.86 111.657 -178.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.591 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.03 -43.3 99.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.606 0.241 . . . . 2.96 111.068 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 19.5 m -63.71 -39.68 94.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.995 0.426 . . . . 2.98 110.248 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -61.85 -49.11 77.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 3.85 110.116 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 518' ' ' LEU . 94.7 t -60.95 -40.22 84.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 2.07 110.555 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.87 -40.98 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.214 -0.448 . . . . 1.98 110.772 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -42.99 80.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.723 -0.217 . . . . 2.48 111.346 177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 8.0 mp -63.24 -42.06 99.16 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.031 0.443 . . . . 1.62 110.372 176.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 1.3 m -68.43 -38.84 81.55 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 115.606 -0.725 . . . . 1.4 110.451 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 4.0 tppp? -60.46 -46.33 90.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 1.6 110.217 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' GLN . . . . . 0.503 ' O ' ' HG2' ' A' ' 532' ' ' GLN . 49.0 tt0 -61.23 -48.11 82.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 2.56 110.552 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 93.7 mt -60.58 -45.29 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.69 110.766 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 530' ' ' LYS . . . . . 0.485 ' O ' HG13 ' A' ' 534' ' ' VAL . 26.5 tptp -57.44 -49.02 77.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.225 -0.898 . . . . 2.78 110.998 -177.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 535' ' ' GLU . 55.5 mt-10 -71.92 -45.24 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.342 -175.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 528' ' ' GLN . 12.8 mm100 -63.49 -33.72 76.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.392 -0.367 . . . . 2.2 110.588 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 34.8 m -75.27 -45.56 39.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.612 -0.267 . . . . 0.53 111.502 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 530' ' ' LYS . 27.2 m -60.48 -40.27 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.844 -0.342 . . . . 0.36 111.312 -176.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.7 pt-20 -73.29 -36.65 66.33 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.51 -0.476 . . . . 0.81 110.7 176.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -65.79 -45.35 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.659 -0.246 . . . . 1.38 111.381 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 27.8 m -64.73 -39.26 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.55 110.153 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 69.4 m -63.79 -38.67 91.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.4 110.744 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.9 tm? -65.48 -43.03 91.49 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.691 -0.485 . . . . 0.52 109.691 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.79 -31.7 72.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.906 0.384 . . . . 1.55 110.755 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.45 -42.23 98.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.017 -0.538 . . . . 1.21 109.806 173.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.73 -40.76 88.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.558 -0.746 . . . . 1.98 110.381 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 7.8 tt -66.61 -33.01 74.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.003 -0.544 . . . . 0.61 110.03 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.479 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 28.1 tt0 -63.63 -44.59 93.45 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.547 -0.538 . . . . 1.64 109.547 173.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -60.9 -38.87 87.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.882 -0.599 . . . . 2.2 110.221 172.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.62 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.7 t80 -67.62 -48.15 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.595 -0.73 . . . . 1.38 111.563 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 4.2 pp -64.08 -34.88 79.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.311 0.577 . . . . 0.89 110.281 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.435 ' HA ' ' HG2' ' A' ' 551' ' ' LYS . 29.9 mm-40 -70.55 -34.81 72.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.628 -0.715 . . . . 2.23 111.353 173.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.58 79.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.333 . . . . 1.35 110.128 173.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 546' ' ' PHE . 43.0 mt-30 -62.9 -40.72 98.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.013 -0.539 . . . . 2.38 109.754 174.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 548' ' ' GLU . 38.8 mmtm -56.63 -50.77 71.06 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.354 -0.61 . . . . 2.36 109.354 173.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.87 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 24.2 m -56.59 -39.23 73.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 2.23 111.803 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -67.85 -38.95 83.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 2.55 110.875 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -80.06 -38.89 17.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.963 -0.637 . . . . 2.98 112.794 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 52.9 pttt -76.64 -8.9 58.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.781 0.324 . . . . 3.58 111.066 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 557' ' ' LEU . 23.4 t -61.6 -64.04 1.07 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.306 -0.627 . . . . 3.67 109.306 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 556' ' ' SER . 22.4 tp . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.749 -0.66 . . . . 5.74 109.255 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.118 -0.393 . . . . 9.1 112.118 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 45.7 m -81.86 -44.79 16.4 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.275 0.23 . . . . 7.47 111.462 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.56 -25.3 32.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.226 0.536 . . . . 6.4 109.782 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.55 -44.89 89.82 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.228 -0.896 . . . . 7.4 110.043 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' A' ' 518' ' ' LEU . 5.6 m -62.98 -46.32 88.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.777 -0.647 . . . . 5.7 110.724 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 35.8 m -58.97 -47.03 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 4.96 110.997 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 58.6 ttp -63.01 -36.83 84.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.942 0.401 . . . . 5.8 110.406 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 41.5 t -67.68 -47.93 68.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.148 -0.478 . . . . 4.52 111.036 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.7 pp -68.16 -42.11 80.55 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.901 0.334 . . . . 3.86 111.901 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.603 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.22 -44.26 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.792 0.293 . . . . 2.96 111.792 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 19.6 p -67.86 -36.16 79.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.379 . . . . 2.98 110.362 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.32 -48.86 77.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.984 -0.553 . . . . 3.85 109.93 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.97 -41.25 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 2.07 110.618 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.81 -40.83 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 115.89 -0.595 . . . . 1.98 110.635 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.35 -40.03 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.492 -0.322 . . . . 2.48 111.187 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 8.6 mp -65.21 -48.24 74.07 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.191 -0.204 . . . . 1.62 111.01 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.4 t -65.85 -37.93 87.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.753 0.311 . . . . 1.4 110.734 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -69.37 -38.35 78.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.902 -0.407 . . . . 1.6 109.902 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -61.16 -45.18 95.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.721 -0.672 . . . . 2.56 110.272 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.5 mt -60.46 -45.68 92.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.564 -0.744 . . . . 0.69 110.653 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -69.91 -46.15 66.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.644 -0.707 . . . . 2.78 111.892 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 535' ' ' GLU . 43.4 mt-10 -62.43 -36.82 83.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.603 0.24 . . . . 1.0 110.715 178.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -62.06 -43.11 99.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.068 0.461 . . . . 2.2 110.22 175.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.5 m -66.3 -46.51 76.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.53 111.153 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 531' ' ' GLU . 32.6 m -63.88 -39.45 85.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.801 0.297 . . . . 0.36 111.801 -176.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.9 pt-20 -73.36 -33.64 65.18 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.332 -0.547 . . . . 0.81 110.538 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 8.6 tmm_? -68.11 -43.02 79.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.813 -0.176 . . . . 1.38 111.154 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.44 -39.5 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.218 0.532 . . . . 0.55 110.026 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.508 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 93.5 m -64.35 -38.38 90.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 0.4 110.151 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.4 tm? -62.03 -39.31 91.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.671 -0.492 . . . . 0.52 109.671 175.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.3 mm100 -58.67 -37.77 76.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.219 -0.446 . . . . 1.55 110.843 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -67.41 -38.95 85.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 1.21 109.946 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 538' ' ' THR . 11.4 mm100 -65.91 -39.57 90.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.23 0.538 . . . . 1.98 109.652 175.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 10.0 tt -68.06 -33.53 74.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.655 . . . . 0.61 109.993 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.708 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 19.7 tt0 -61.21 -46.65 89.56 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 109.416 -0.587 . . . . 1.64 109.416 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -63.63 -33.33 75.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.884 -0.598 . . . . 2.2 110.392 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.61 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.8 t80 -63.57 -49.06 74.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.94 -0.573 . . . . 1.38 110.79 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.9 pp -65.23 -37.58 87.7 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.753 0.311 . . . . 0.89 110.599 175.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 551' ' ' LYS . 47.9 mt-10 -58.83 -36.42 74.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.056 0.455 . . . . 2.23 110.642 174.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 553' ' ' GLU . . . -67.92 -36.43 80.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 1.35 110.76 176.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.64 -33.34 75.7 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.119 0.485 . . . . 2.38 109.844 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 548' ' ' GLU . 75.4 mmtt -62.7 -46.26 88.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.568 -0.742 . . . . 2.36 109.904 173.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.435 ' HA ' ' HG2' ' A' ' 555' ' ' LYS . 37.2 m -57.24 -42.03 80.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.13 -0.486 . . . . 2.23 110.795 175.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 549' ' ' ALA . 28.8 mm-40 -63.86 -47.51 80.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.135 0.493 . . . . 2.55 110.577 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.09 -37.97 87.78 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.741 -0.663 . . . . 2.98 113.122 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 552' ' ' SER . 13.3 ptmm? -73.21 -21.67 60.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.847 0.323 . . . . 3.58 111.224 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.46 ' HB3' HD23 ' A' ' 557' ' ' LEU . 10.6 t -72.79 -44.22 61.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.448 -0.342 . . . . 3.67 110.35 -178.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 556' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.291 -0.385 . . . . 5.74 110.311 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 112.312 -0.315 . . . . 9.1 112.312 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 48.8 m 69.39 -58.85 0.5 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.85 0.86 . . . . 7.47 112.494 176.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.52 -32.88 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.989 0.423 . . . . 6.4 110.962 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -54.96 -42.23 72.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.398 -0.819 . . . . 7.4 111.409 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.73 -39.89 26.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.206 -0.452 . . . . 5.7 110.603 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.528 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 33.3 m -67.69 -35.87 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.05 -0.523 . . . . 4.96 111.354 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.69 -36.84 84.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.72 -0.474 . . . . 5.8 109.72 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 44.2 t -69.59 -47.05 64.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.913 -0.585 . . . . 4.52 111.157 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.7 pp -66.99 -39.32 87.13 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.764 -0.375 . . . . 3.86 111.508 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.559 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -64.47 -42.96 95.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.525 -0.307 . . . . 2.96 111.452 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 24.5 p -68.04 -34.48 76.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 2.98 110.438 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.66 -45.68 93.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 3.85 110.125 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 518' ' ' LEU . 81.0 t -58.57 -40.31 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 2.07 110.174 174.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.4 -43.23 96.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.915 -0.584 . . . . 1.98 110.833 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -64.14 -41.25 97.27 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.624 0.25 . . . . 2.48 110.811 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 5.3 mp -61.36 -48.05 83.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 1.62 110.542 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.92 -38.89 87.32 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.776 -0.647 . . . . 1.4 110.785 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.42 -48.15 76.45 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.059 -0.519 . . . . 1.6 110.592 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -62.3 -38.31 88.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 2.56 110.885 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.4 mt -64.1 -46.35 84.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.69 110.544 177.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -61.35 -49.56 76.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.901 -0.591 . . . . 2.78 111.541 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.583 ' HA ' HG22 ' A' ' 534' ' ' VAL . 33.1 mt-10 -66.22 -36.71 83.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.239 -176.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -62.4 -41.08 98.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.127 0.489 . . . . 2.2 110.358 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 25.2 m -72.57 -45.47 59.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.004 -0.543 . . . . 0.53 111.347 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.583 HG22 ' HA ' ' A' ' 531' ' ' GLU . 28.9 m -62.59 -39.0 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 111.726 0.269 . . . . 0.36 111.726 -177.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.5 pt-20 -72.47 -34.8 67.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.706 -0.398 . . . . 0.81 110.3 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.5 tmm_? -68.71 -44.91 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 1.38 111.178 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 28.7 m -65.36 -39.11 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.043 0.449 . . . . 0.55 110.295 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 76.8 m -65.94 -38.97 90.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.774 -0.648 . . . . 0.4 110.829 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.418 ' C ' HD13 ' A' ' 539' ' ' LEU . 2.2 tm? -62.07 -45.91 91.44 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.264 -0.643 . . . . 0.52 109.264 176.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 84.6 mm-40 -63.83 -27.91 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 1.55 111.221 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.77 -45.53 74.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.297 -0.411 . . . . 1.21 110.132 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 538' ' ' THR . 79.6 mt-30 -63.98 -43.1 96.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.922 -0.581 . . . . 1.98 109.74 176.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.3 tt -64.54 -32.95 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.127 -0.942 . . . . 0.61 110.192 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.528 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 55.7 tt0 -59.82 -46.75 88.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.997 0.427 . . . . 1.64 110.002 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.78 -35.07 79.39 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.204 0.526 . . . . 2.2 110.254 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.565 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.0 t80 -68.63 -47.04 67.65 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.593 -0.731 . . . . 1.38 111.627 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.5 pp -63.92 -38.91 92.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.713 0.292 . . . . 0.89 110.833 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -67.06 -34.73 78.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 2.23 110.784 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.03 89.38 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.767 -0.457 . . . . 1.35 109.767 173.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -62.36 -44.09 97.28 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.302 -0.408 . . . . 2.38 110.126 175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 32.7 mmtp -56.4 -45.66 80.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 2.36 110.271 175.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.617 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 37.5 m -62.08 -34.01 75.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.82 -0.627 . . . . 2.23 111.37 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -79.59 -39.39 31.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.0 0.429 . . . . 2.55 110.726 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.06 -40.08 93.06 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.806 -0.634 . . . . 2.98 112.557 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.617 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 63.2 pttt -68.61 -15.09 63.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.068 0.461 . . . . 3.58 110.848 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.3 t -80.63 75.8 7.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.415 0.626 . . . . 3.67 109.72 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.248 0.98 0 N-CA-C 108.489 -0.93 . . . . 5.74 108.489 179.304 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 112.614 -0.195 . . . . 9.1 112.614 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 511' ' ' SER . . . . . 0.412 ' HB2' ' OG1' ' A' ' 514' ' ' THR . 24.2 m -114.51 132.01 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.324 -0.621 . . . . 7.47 109.324 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.13 -33.12 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.168 -0.469 . . . . 6.4 111.258 -175.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 513' ' ' GLU . 4.7 mp0 -60.43 -51.05 71.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.555 0.693 . . . . 7.4 110.644 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' THR . . . . . 0.513 ' O ' ' HG ' ' A' ' 518' ' ' LEU . 7.3 p -73.59 -43.61 59.3 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.741 -1.118 . . . . 5.7 111.365 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.2 t -56.18 -50.33 71.52 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.378 -0.374 . . . . 4.96 111.37 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 48.6 mtt -62.98 -33.18 74.84 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.591 -0.444 . . . . 5.8 110.952 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 51.0 m -69.4 -48.55 60.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.764 -0.198 . . . . 4.52 111.203 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.4 pp -67.93 -41.85 81.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.871 -0.332 . . . . 3.86 111.506 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.566 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.26 -43.18 99.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 2.96 111.477 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 24.7 p -66.58 -39.08 88.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.098 -0.241 . . . . 2.98 110.756 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLN . . . . . 0.411 ' O ' HD13 ' A' ' 525' ' ' LEU . 34.0 tt0 -62.46 -48.08 81.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.893 -0.41 . . . . 3.85 109.893 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 518' ' ' LEU . 78.3 t -58.5 -38.66 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 2.07 110.692 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 523' ' ' VAL . . . . . 0.579 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.2 t -60.56 -40.13 83.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 1.98 111.14 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.8 -38.47 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.796 -0.362 . . . . 2.48 110.723 175.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 11.0 mp -65.11 -48.47 73.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 1.62 110.685 177.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 523' ' ' VAL . 9.3 t -66.25 -32.45 73.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.309 -0.405 . . . . 1.4 110.628 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -60.11 -47.43 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.017 0.437 . . . . 1.6 109.906 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -65.71 -41.96 91.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.787 -0.642 . . . . 2.56 109.767 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.9 mt -61.15 -45.45 94.59 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.267 -0.424 . . . . 0.69 111.258 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -62.37 -42.35 99.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.208 -0.451 . . . . 2.78 111.22 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.54 ' HA ' HG22 ' A' ' 534' ' ' VAL . 47.0 mt-10 -65.02 -37.61 88.19 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.328 175.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -61.88 -37.66 85.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.105 -0.498 . . . . 2.2 110.134 175.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.9 m -69.28 -48.36 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.019 -0.537 . . . . 0.53 111.114 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 531' ' ' GLU . 27.5 m -64.58 -39.02 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.828 0.307 . . . . 0.36 111.828 -176.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 11.1 pt-20 -71.73 -33.31 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.675 -0.41 . . . . 0.81 110.295 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.51 -47.02 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 1.38 111.07 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 24.6 m -63.35 -39.63 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.55 110.131 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.497 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 97.8 m -65.05 -38.41 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.4 110.82 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.451 ' C ' HD13 ' A' ' 539' ' ' LEU . 2.0 tm? -68.38 -44.18 75.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.621 -0.511 . . . . 0.52 109.621 178.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -61.8 -32.66 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.155 -0.475 . . . . 1.55 110.742 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -63.3 -45.67 90.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.493 -0.558 . . . . 1.21 109.493 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 538' ' ' THR . 12.2 mm100 -63.94 -39.94 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.577 . . . . 1.98 110.224 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.578 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 10.0 tt -68.61 -35.89 77.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.846 -0.615 . . . . 0.61 110.736 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.633 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 34.3 tt0 -63.0 -42.4 99.84 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.47 -0.567 . . . . 1.64 109.47 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -68.66 -32.36 72.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.594 -0.73 . . . . 2.2 110.265 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.578 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 0.8 OUTLIER -63.56 -47.31 82.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.167 -0.47 . . . . 1.38 111.203 178.13 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.5 pp -64.48 -34.87 79.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.921 0.391 . . . . 0.89 110.392 177.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 544' ' ' GLN . 96.5 mt-10 -66.75 -36.61 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 2.23 110.752 173.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.45 94.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 1.35 110.232 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 546' ' ' PHE . 47.2 mt-30 -58.79 -35.78 73.39 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.159 -0.473 . . . . 2.38 110.183 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 47.4 mmtm -68.18 -41.91 80.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 2.36 110.28 176.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.415 ' HA ' ' CD ' ' A' ' 555' ' ' LYS . 7.7 t -64.14 -27.12 68.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.959 -0.564 . . . . 2.23 110.082 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -78.67 -42.85 27.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 2.55 110.448 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.65 -32.16 67.46 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 115.66 -0.7 . . . . 2.98 113.151 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 552' ' ' SER . 22.9 ptmt -64.66 -21.26 66.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.274 0.559 . . . . 3.58 110.521 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 12.3 t -97.52 9.0 43.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.648 -0.705 . . . . 3.67 109.868 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.687 -0.688 . . . . 5.74 109.628 178.675 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.739 -0.544 . . . . 9.1 111.739 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 22.7 p -91.21 31.48 1.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.746 0.273 . . . . 7.47 111.348 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 79.3 t 70.99 -54.44 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 123.165 0.586 . . . . 6.4 112.124 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -55.46 -41.46 72.94 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 122.836 0.454 . . . . 7.4 112.092 -175.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -13.61 59.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.024 0.44 . . . . 5.7 111.135 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.513 ' SG ' HD11 ' A' ' 518' ' ' LEU . 14.5 t -93.08 -34.98 13.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.744 -0.835 . . . . 4.96 108.744 175.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 48.3 ttp -55.63 -33.84 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.22 -0.9 . . . . 5.8 110.778 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 61.9 p -69.73 -49.57 51.93 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.024 -0.534 . . . . 4.52 111.2 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.9 pp -68.45 -39.81 81.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.779 0.324 . . . . 3.86 111.728 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.595 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -61.06 -43.22 99.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.942 -0.572 . . . . 2.96 111.539 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 11.3 p -66.0 -36.1 82.36 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.256 -0.178 . . . . 2.98 110.824 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -61.65 -47.12 86.83 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.75 -0.38 . . . . 3.85 110.084 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 518' ' ' LEU . 93.8 t -58.71 -38.71 73.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.936 0.398 . . . . 2.07 110.398 176.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' VAL . . . . . 0.478 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.4 t -59.88 -39.89 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.694 -0.685 . . . . 1.98 111.0 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -41.83 91.06 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.885 -0.326 . . . . 2.48 110.889 175.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.8 mp -64.68 -48.99 72.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.557 -0.292 . . . . 1.62 111.145 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 523' ' ' VAL . 12.6 t -63.71 -33.87 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.435 -0.348 . . . . 1.4 110.8 -175.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.59 -46.97 67.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.322 . . . . 1.6 110.457 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -62.36 -42.15 99.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.203 -0.453 . . . . 2.56 110.496 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.1 mt -60.82 -45.2 95.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.69 110.26 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -59.36 -44.61 92.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.557 -0.747 . . . . 2.78 110.451 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 535' ' ' GLU . 33.2 mt-10 -62.22 -42.97 99.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.506 -0.316 . . . . 1.0 111.031 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.98 -34.2 75.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.781 0.324 . . . . 2.2 110.644 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.464 HG23 ' NH2' ' A' ' 536' ' ' ARG . 29.7 m -70.54 -48.25 56.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.352 -0.385 . . . . 0.53 111.033 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 531' ' ' GLU . 27.1 m -64.52 -39.52 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 111.916 0.339 . . . . 0.36 111.916 -175.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 11.3 pt-20 -73.48 -32.45 64.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.921 -0.487 . . . . 0.81 110.73 176.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.464 ' NH2' HG23 ' A' ' 533' ' ' THR . 5.8 tmm_? -68.44 -45.35 72.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 1.38 111.15 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.3 m -62.64 -39.72 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.128 0.489 . . . . 0.55 109.978 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.483 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 86.6 m -63.59 -37.49 87.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.62 -0.718 . . . . 0.4 110.683 175.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.458 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.8 tm? -65.14 -44.49 88.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.492 -0.559 . . . . 0.52 109.492 176.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -63.76 -32.93 74.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 1.55 110.514 176.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.93 -44.41 92.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.21 110.098 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 538' ' ' THR . 46.9 mt-30 -67.41 -38.12 84.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.933 -0.576 . . . . 1.98 110.277 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.573 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.0 tt -67.51 -32.95 74.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.92 -0.582 . . . . 0.61 110.195 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.429 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 49.1 tt0 -60.88 -45.19 95.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.192 0.52 . . . . 1.64 109.649 174.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.78 -38.0 89.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.743 . . . . 2.2 110.203 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.5 t80 -63.59 -51.49 65.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.862 -0.608 . . . . 1.38 111.22 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 551' ' ' LYS . 3.4 pp -64.9 -40.68 95.47 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.595 0.236 . . . . 0.89 110.837 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.4 -37.35 86.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.363 -0.381 . . . . 2.23 111.068 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.86 96.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.01 -0.367 . . . . 1.35 110.01 174.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 546' ' ' PHE . 71.7 mm-40 -61.71 -39.53 91.84 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.95 -0.568 . . . . 2.38 110.445 177.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 34.5 mmtp -59.75 -56.85 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 2.36 110.367 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 15.0 m -59.33 -45.18 92.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.249 -0.432 . . . . 2.23 111.836 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.13 -39.08 66.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.835 0.35 . . . . 2.55 110.987 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -72.69 -35.0 59.2 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.932 -0.652 . . . . 2.98 112.603 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -79.12 -9.26 59.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 3.58 110.611 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 22.9 t -78.92 83.41 5.03 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.098 -0.501 . . . . 3.67 109.842 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 557' ' ' LEU . 2.0 tm? . . . . . 0 C--O 1.246 0.91 0 N-CA-C 108.886 -0.783 . . . . 5.74 108.886 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.012 -0.435 . . . . 9.1 112.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 18.7 m -119.44 -53.96 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.8 0.3 . . . . 7.47 111.116 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 10.2 t -65.96 -21.19 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.046 0.45 . . . . 6.4 111.4 -175.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.09 -28.22 64.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 7.4 110.949 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 36.2 p -116.61 174.06 6.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.991 -0.55 . . . . 5.7 109.911 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.463 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 48.3 m 72.18 -38.86 0.43 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.164 0.586 . . . . 4.96 111.555 177.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 26.7 ttt -61.21 -33.32 73.29 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.472 -0.566 . . . . 5.8 109.472 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 5.6 t -64.96 -49.39 70.52 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.694 -0.685 . . . . 4.52 110.852 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.6 pp -67.56 -36.89 81.82 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.056 0.455 . . . . 3.86 110.851 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.503 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.96 -37.51 87.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.78 -0.645 . . . . 2.96 110.658 175.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 11.4 t -63.25 -35.92 81.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.041 0.448 . . . . 2.98 109.83 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' GLN . . . . . 0.435 ' O ' HD13 ' A' ' 525' ' ' LEU . 72.5 mt-30 -61.3 -46.35 90.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.963 -0.562 . . . . 3.85 110.036 176.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.9 -40.46 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.827 -0.624 . . . . 2.07 110.237 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' VAL . . . . . 0.554 ' HA ' HG22 ' A' ' 526' ' ' THR . 3.4 t -61.66 -40.04 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 115.676 -0.693 . . . . 1.98 110.992 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -35.67 81.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.714 0.292 . . . . 2.48 110.79 175.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 521' ' ' GLN . 5.8 mp -65.67 -48.68 71.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.808 0.337 . . . . 1.62 110.521 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.554 HG22 ' HA ' ' A' ' 523' ' ' VAL . 13.6 t -66.65 -33.17 75.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 1.4 110.042 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 527' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 17.8 tppt? -63.65 -47.79 79.86 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.573 -0.285 . . . . 1.6 110.596 177.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -60.51 -43.97 96.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 2.56 109.994 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.17 -45.86 86.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 0.69 110.619 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -57.75 -49.62 75.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.675 -0.693 . . . . 2.78 111.619 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.579 ' HA ' HG22 ' A' ' 534' ' ' VAL . 22.6 mt-10 -67.92 -36.17 79.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.898 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -68.19 -32.76 73.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.836 0.351 . . . . 2.2 110.502 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 32.8 m -73.21 -44.67 59.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.498 -0.319 . . . . 0.53 111.153 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.579 HG22 ' HA ' ' A' ' 531' ' ' GLU . 26.9 m -62.85 -38.38 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 121.153 -0.219 . . . . 0.36 111.35 -178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 10.3 pt-20 -71.61 -36.29 70.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.718 -0.393 . . . . 0.81 110.309 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -66.87 -43.89 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 1.38 111.009 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.04 -38.91 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.55 110.124 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.456 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 75.2 m -64.21 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.756 -0.656 . . . . 0.4 111.06 176.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.47 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.7 tm? -62.78 -44.23 96.74 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.239 -0.652 . . . . 0.52 109.239 175.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -64.48 -31.59 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 1.55 110.583 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 544' ' ' GLN . 8.8 t30 -66.78 -39.98 88.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.872 -0.603 . . . . 1.21 109.981 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 538' ' ' THR . 87.0 mt-30 -66.51 -35.56 80.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.074 -0.512 . . . . 1.98 109.8 174.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 10.0 tt -66.39 -33.85 76.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.61 110.065 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.578 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 49.4 tp60 -60.86 -46.08 91.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.207 -0.664 . . . . 1.64 109.207 172.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 545' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 542' ' ' GLN . 47.9 mt-30 -61.19 -36.37 79.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.758 -0.655 . . . . 2.2 110.158 175.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.579 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.0 OUTLIER -64.01 -50.13 69.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.567 -0.742 . . . . 1.38 111.383 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 4.0 pp -64.43 -37.48 87.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.763 0.316 . . . . 0.89 110.525 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.38 -35.25 80.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.096 -0.502 . . . . 2.23 111.023 175.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.93 80.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.716 0.293 . . . . 1.35 110.516 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -64.39 -42.45 96.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.195 0.521 . . . . 2.38 109.876 174.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -60.57 -39.37 87.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.736 -0.666 . . . . 2.36 110.217 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 556' ' ' SER . 20.0 m -61.65 -35.74 78.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.519 -0.764 . . . . 2.23 110.798 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -70.8 -39.3 73.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.045 0.45 . . . . 2.55 110.56 175.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.18 -46.19 66.47 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.942 -0.572 . . . . 2.98 112.719 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 552' ' ' SER . 20.8 ptmt -72.03 -18.13 61.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 3.58 111.414 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.514 ' HB2' ' O ' ' A' ' 552' ' ' SER . 9.5 t -71.15 155.04 41.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.281 -0.418 . . . . 3.67 110.806 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 557' ' ' LEU . 6.3 mp . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.638 -0.696 . . . . 5.74 110.266 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 112.295 -0.322 . . . . 9.1 112.295 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 11.7 p -60.76 -50.72 72.33 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.314 0.487 . . . . 7.47 112.314 -175.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 4.7 t -62.15 -34.44 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 6.4 110.928 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.44 -48.19 82.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 7.4 110.761 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 3.3 p -72.85 -33.65 66.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.46 -0.336 . . . . 5.7 111.233 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 62.1 m -66.11 -36.73 83.95 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.764 0.316 . . . . 4.96 110.463 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 28.1 ttt -63.68 -38.82 92.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.95 0.405 . . . . 5.8 110.279 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 40.3 t -69.09 -34.45 75.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.238 0.542 . . . . 4.52 110.048 176.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 518' ' ' LEU . 0.4 OUTLIER -65.76 -45.34 82.92 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.694 -0.685 . . . . 3.86 109.808 176.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.419 ' N ' HD13 ' A' ' 518' ' ' LEU . . . -66.79 -43.02 85.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.113 -0.494 . . . . 2.96 111.236 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 44.5 p -65.0 -35.28 80.69 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.955 -0.387 . . . . 2.98 109.955 177.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' GLN . . . . . 0.42 ' O ' HD13 ' A' ' 525' ' ' LEU . 34.8 tt0 -60.83 -46.93 88.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 3.85 109.815 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 518' ' ' LEU . 93.4 t -58.53 -39.73 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.155 0.502 . . . . 2.07 110.082 175.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.03 -40.32 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.896 -0.593 . . . . 1.98 110.614 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -62.84 -45.08 94.29 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.808 0.337 . . . . 2.48 111.021 174.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.5 mp -60.89 -42.61 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 1.62 110.38 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' ' 529' ' ' LEU . 1.0 OUTLIER -71.6 -35.07 70.39 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.886 -0.597 . . . . 1.4 110.627 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 527' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 15.0 tppt? -61.18 -45.96 92.46 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.606 -0.516 . . . . 1.6 109.606 176.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -61.04 -41.81 97.29 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.424 -0.807 . . . . 2.56 110.448 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.7 mt -60.53 -46.32 90.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.69 110.741 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.21 -49.46 75.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.03 -0.532 . . . . 2.78 111.209 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 527' ' ' LYS . 33.3 mt-10 -64.82 -39.25 93.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.873 -176.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -63.91 -41.22 97.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.208 -0.451 . . . . 2.2 110.466 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 45.0 m -70.3 -45.71 65.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.439 -0.346 . . . . 0.53 111.281 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 531' ' ' GLU . 34.9 m -63.04 -40.18 88.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 121.025 -0.27 . . . . 0.36 111.67 -175.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 4.6 pt-20 -72.61 -36.77 68.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.388 -0.525 . . . . 0.81 110.373 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 535' ' ' GLU . 7.2 tmm_? -66.63 -44.28 82.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.38 111.365 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.98 -39.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.55 110.298 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 30.8 m -63.92 -37.8 88.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 0.4 110.741 175.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.462 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.8 tm? -63.02 -44.11 96.87 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.6 -0.519 . . . . 0.52 109.6 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.75 -34.61 78.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.05 -0.523 . . . . 1.55 110.767 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -63.85 -44.32 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.626 -0.509 . . . . 1.21 109.626 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 538' ' ' THR . 15.4 mm100 -60.62 -44.0 96.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.783 -0.644 . . . . 1.98 110.077 174.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.561 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 7.3 tt -68.0 -33.49 74.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.585 -0.734 . . . . 0.61 110.871 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.509 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 44.4 tt0 -59.85 -47.47 85.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.019 0.437 . . . . 1.64 110.007 176.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.36 -33.52 76.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.697 -0.683 . . . . 2.2 110.3 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.561 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.4 t80 -67.64 -49.2 64.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.726 -0.67 . . . . 1.38 111.293 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.5 pp -64.83 -35.44 81.11 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.916 0.389 . . . . 0.89 110.894 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -71.12 -34.2 70.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.152 -0.476 . . . . 2.23 111.016 176.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.32 71.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 1.35 110.235 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 546' ' ' PHE . 65.7 mt-30 -64.37 -38.48 91.19 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.077 -0.511 . . . . 2.38 109.888 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -58.21 -47.2 84.23 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.993 -0.549 . . . . 2.36 109.652 175.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 556' ' ' SER . 16.0 m -59.48 -33.47 71.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.636 -0.711 . . . . 2.23 111.029 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.88 -47.56 58.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.148 0.499 . . . . 2.55 110.668 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.78 -40.49 95.68 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.725 -0.67 . . . . 2.98 112.623 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.482 ' HG2' ' HA ' ' A' ' 552' ' ' SER . 13.9 ptmm? -76.58 -14.71 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.525 0.202 . . . . 3.58 111.248 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.515 ' HB2' ' O ' ' A' ' 552' ' ' SER . 19.7 t -72.95 84.67 1.26 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.158 0.504 . . . . 3.67 110.702 -177.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.244 0.809 0 N-CA-C 108.793 -0.817 . . . . 5.74 108.793 175.235 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.518 -0.233 . . . . 9.1 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 10.1 m -109.31 26.06 11.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.914 0.338 . . . . 7.47 111.914 -175.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.49 -52.32 47.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.843 -0.343 . . . . 6.4 110.108 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -60.1 -29.11 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 7.4 110.894 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 14.9 m -63.55 -56.25 17.43 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.202 -0.454 . . . . 5.7 110.732 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.508 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 39.0 m -67.24 -35.28 79.22 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.969 0.414 . . . . 4.96 110.601 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -61.0 -41.17 96.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.86 -0.422 . . . . 5.8 109.86 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' SER . . . . . 0.605 ' O ' ' HG2' ' A' ' 521' ' ' GLN . 22.9 t -67.26 -47.38 70.88 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.97 -0.559 . . . . 4.52 111.023 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.4 pp -64.21 -39.21 93.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.317 -0.553 . . . . 3.86 111.482 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.53 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -66.36 -43.44 85.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 2.96 111.16 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 27.2 p -69.85 -35.68 74.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.658 -0.247 . . . . 2.98 110.752 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 517' ' ' SER . 25.8 mm-40 -62.65 -44.08 97.17 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 120.888 -0.325 . . . . 3.85 110.237 175.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 518' ' ' LEU . 65.4 t -58.39 -40.31 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 2.07 110.117 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.59 -40.11 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.045 -0.525 . . . . 1.98 110.806 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -65.54 -45.25 84.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.465 -0.334 . . . . 2.48 110.763 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 9.5 mp -61.53 -49.13 77.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.414 -0.357 . . . . 1.62 110.995 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 5.7 t -64.42 -35.73 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.401 -0.363 . . . . 1.4 110.572 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -68.41 -48.26 65.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.338 -0.392 . . . . 1.6 110.287 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -61.52 -37.06 82.34 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.188 -0.46 . . . . 2.56 110.956 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.6 mt -60.64 -46.8 88.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.92 0.391 . . . . 0.69 110.762 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.86 -48.08 69.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.918 -0.583 . . . . 2.78 111.261 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.446 ' HA ' HG22 ' A' ' 534' ' ' VAL . 3.7 mt-10 -67.54 -35.6 79.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.747 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -61.27 -39.39 90.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 2.2 110.083 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 537' ' ' VAL . 50.2 m -67.79 -43.91 78.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.36 -0.382 . . . . 0.53 111.677 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 531' ' ' GLU . 26.8 m -65.41 -40.65 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 120.571 -0.452 . . . . 0.36 111.635 -176.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 7.4 pt-20 -72.85 -32.96 65.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.538 -0.465 . . . . 0.81 110.282 175.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.1 OUTLIER -69.82 -41.92 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.38 111.724 -179.184 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 533' ' ' THR . 33.1 m -65.37 -39.84 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.264 0.554 . . . . 0.55 109.85 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 95.0 m -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.517 -0.765 . . . . 0.4 110.294 174.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.41 ' C ' HD13 ' A' ' 539' ' ' LEU . 2.2 tm? -66.84 -44.53 80.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.733 -0.667 . . . . 0.52 109.776 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.0 mm100 -58.37 -33.36 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 1.55 110.971 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -63.24 -44.15 96.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.17 0.509 . . . . 1.21 109.937 175.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 538' ' ' THR . 65.8 mt-30 -66.67 -36.38 82.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.869 -0.605 . . . . 1.98 110.115 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.0 tt -67.73 -32.87 73.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.61 110.123 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.547 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 32.2 tt0 -59.77 -45.52 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.098 0.475 . . . . 1.64 109.737 173.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -64.64 -33.63 76.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.384 0.611 . . . . 2.2 110.027 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.61 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.9 t80 -67.46 -48.26 67.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.22 -0.9 . . . . 1.38 111.633 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 4.0 pp -64.71 -38.66 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.89 110.927 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.69 -35.69 81.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.397 -0.365 . . . . 2.23 110.546 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.42 88.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.475 -0.329 . . . . 1.35 110.714 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -57.31 -31.73 65.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.275 0.559 . . . . 2.38 110.74 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -70.91 -57.64 4.39 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.5 -0.773 . . . . 2.36 110.715 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 15.6 m -65.58 -33.69 76.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.054 0.391 . . . . 2.23 112.054 -176.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -88.45 -25.58 22.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 2.55 110.951 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -82.5 -34.02 23.77 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.924 -0.655 . . . . 2.98 112.411 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -63.68 -16.97 62.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.96 0.409 . . . . 3.58 111.355 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.2 t -98.83 94.84 6.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.23 0.538 . . . . 3.67 109.669 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.42 ' H ' ' HG ' ' A' ' 557' ' ' LEU . 2.9 pp . . . . . 0 C--O 1.246 0.879 0 CA-C-N 115.676 -0.693 . . . . 5.74 110.655 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.821 -0.512 . . . . 9.1 111.821 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 9.2 t -83.73 153.9 23.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 7.47 109.933 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.67 -24.27 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.579 -0.737 . . . . 6.4 112.18 -173.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -56.83 -33.91 67.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.812 0.671 . . . . 7.4 112.812 -175.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 24.5 p -76.53 -48.99 17.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.899 0.38 . . . . 5.7 110.997 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.9 t -60.53 -38.78 85.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 4.96 110.62 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 52.1 ttm -61.41 -34.82 76.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.486 -0.324 . . . . 5.8 110.776 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.8 t -70.18 -48.01 59.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 4.52 110.454 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.5 pp -67.44 -42.23 83.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.786 -0.365 . . . . 3.86 111.599 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.526 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -63.97 -40.83 97.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.46 -0.336 . . . . 2.96 111.63 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 58.2 p -66.9 -36.1 81.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 2.98 110.11 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.07 -43.58 98.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 3.85 109.793 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 518' ' ' LEU . 99.6 t -61.44 -40.64 87.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.69 -0.686 . . . . 2.07 110.218 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.54 -42.51 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.12 -0.491 . . . . 1.98 111.249 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.72 -43.84 98.07 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.938 0.399 . . . . 2.48 110.695 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.517 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 5.3 mp -65.0 -45.27 86.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 1.62 110.83 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -33.72 76.28 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.047 -0.524 . . . . 1.4 110.279 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 527' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 15.9 tppt? -59.61 -48.81 80.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.83 -0.623 . . . . 1.6 109.923 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -68.61 -41.6 79.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.804 -0.634 . . . . 2.56 110.984 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 91.9 mt -60.74 -45.88 92.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.69 111.05 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -61.3 -44.33 97.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.926 -0.579 . . . . 2.78 110.723 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.542 ' HA ' HG22 ' A' ' 534' ' ' VAL . 45.3 mt-10 -65.22 -38.44 90.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.135 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.93 -37.01 86.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.183 0.516 . . . . 2.2 110.145 176.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.1 m -70.59 -46.96 62.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.787 -0.642 . . . . 0.53 111.094 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 531' ' ' GLU . 28.9 m -63.25 -39.28 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 111.732 0.271 . . . . 0.36 111.732 -176.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 12.5 pt-20 -70.42 -34.07 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.81 110.45 177.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -71.69 -46.14 59.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.445 . . . . 1.38 111.119 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 534' ' ' VAL . 32.1 m -64.29 -39.23 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.928 -0.397 . . . . 0.55 109.928 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 538' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 48.2 m -60.88 -42.57 98.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.675 -0.693 . . . . 0.4 110.821 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.454 ' C ' HD13 ' A' ' 539' ' ' LEU . 2.2 tm? -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.504 -0.554 . . . . 0.52 109.504 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.82 -33.75 74.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 1.55 110.669 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.6 -42.31 91.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 1.21 109.968 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 538' ' ' THR . 29.9 mm-40 -67.94 -37.99 82.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 1.98 109.976 176.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.618 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.3 tt -67.65 -33.02 74.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.692 -0.685 . . . . 0.61 110.462 177.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.571 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 32.2 tt0 -62.16 -46.78 87.44 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.094 0.473 . . . . 1.64 109.784 175.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -63.54 -35.05 79.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.881 -0.6 . . . . 2.2 109.507 175.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.618 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.1 t80 -65.04 -49.43 70.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.742 -0.663 . . . . 1.38 111.398 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.4 pp -64.48 -37.78 88.72 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.684 0.278 . . . . 0.89 110.749 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.09 -36.54 83.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 2.23 110.796 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 553' ' ' GLU . . . -62.98 -40.49 97.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.415 -0.357 . . . . 1.35 110.423 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -57.39 -40.2 77.71 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.148 0.499 . . . . 2.38 110.393 174.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -62.9 -48.45 78.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.185 -0.916 . . . . 2.36 110.221 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.802 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 20.2 m -58.88 -49.06 79.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.178 -0.464 . . . . 2.23 110.837 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 549' ' ' ALA . 7.5 mm-40 -61.06 -39.88 91.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.897 0.379 . . . . 2.55 110.894 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.55 -39.63 34.58 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.078 -0.582 . . . . 2.98 112.875 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 58.1 pttt -73.55 -19.79 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.698 -0.295 . . . . 3.58 110.679 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.3 t -74.47 83.55 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.25 0.548 . . . . 3.67 110.281 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 40.8 tp . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.159 -0.928 . . . . 5.74 108.791 176.741 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 111.687 -0.565 . . . . 9.1 111.687 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 43.7 m 60.24 40.26 18.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.441 0.638 . . . . 7.47 110.968 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.79 -31.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 6.4 109.694 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.3 -32.82 70.4 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.492 -0.776 . . . . 7.4 111.046 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 13.7 p -65.15 -49.41 69.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.36 -0.382 . . . . 5.7 111.45 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' CYS . . . . . 0.456 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 4.4 p -77.38 -28.3 52.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 4.96 111.211 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -63.89 -39.2 93.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.935 -0.395 . . . . 5.8 109.935 173.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 20.6 t -66.99 -45.01 78.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.889 -0.596 . . . . 4.52 111.524 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.9 pp -66.91 -38.24 85.85 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.67 -0.412 . . . . 3.86 111.441 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 519' ' ' ALA . . . . . 0.568 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -64.9 -43.42 92.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.203 -0.453 . . . . 2.96 111.585 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.4 p -66.31 -35.33 80.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 2.98 110.299 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -61.53 -45.65 93.27 Favored 'General case' 0 C--O 1.227 -0.131 0 N-CA-C 110.041 -0.355 . . . . 3.85 110.041 175.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 518' ' ' LEU . 98.9 t -58.56 -39.37 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.482 . . . . 2.07 110.288 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.48 -39.59 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.728 -0.669 . . . . 1.98 110.395 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -66.45 -42.52 87.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 2.48 111.154 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.6 mp -61.66 -36.73 81.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.873 0.368 . . . . 1.62 110.194 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 526' ' ' THR . . . . . 0.409 ' HA ' HD12 ' A' ' 529' ' ' LEU . 0.9 OUTLIER -65.95 -35.7 81.32 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.893 -0.594 . . . . 1.4 110.22 177.422 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.43 -43.47 90.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 1.6 109.996 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -62.41 -41.04 98.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.965 -0.561 . . . . 2.56 110.583 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.2 mt -61.16 -44.6 97.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.69 110.361 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -57.76 -48.55 79.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.496 -0.774 . . . . 2.78 110.603 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 535' ' ' GLU . 44.9 mt-10 -64.43 -40.63 96.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.138 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -61.61 -39.67 92.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 2.2 110.342 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.3 m -69.86 -44.87 68.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.53 111.622 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' VAL . . . . . 0.41 HG22 ' HA ' ' A' ' 531' ' ' GLU . 26.9 m -64.13 -40.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.858 -0.337 . . . . 0.36 111.623 -176.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 535' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 7.2 pt-20 -72.91 -32.88 65.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.951 -0.468 . . . . 0.81 110.379 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.3 tmm_? -67.53 -45.83 74.58 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.617 -0.265 . . . . 1.38 111.015 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.3 m -62.31 -39.74 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.141 0.496 . . . . 0.55 110.01 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 89.6 m -63.87 -38.58 91.62 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.4 110.472 175.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' LEU . . . . . 0.463 ' C ' HD13 ' A' ' 539' ' ' LEU . 1.6 tm? -66.8 -42.4 86.02 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.886 -0.597 . . . . 0.52 109.8 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 85.4 mm-40 -61.9 -34.15 75.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 1.55 110.744 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -64.79 -42.01 95.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 1.21 109.628 175.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -66.94 -38.71 86.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 1.98 110.168 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' LEU . . . . . 0.666 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.3 tt -67.12 -32.33 73.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.61 110.059 178.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.522 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 28.0 tt0 -61.14 -44.71 96.89 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.471 -0.566 . . . . 1.64 109.471 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -64.98 -34.25 77.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.061 -0.518 . . . . 2.2 110.231 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' PHE . . . . . 0.666 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 3.1 t80 -66.47 -49.38 66.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.361 -0.836 . . . . 1.38 111.303 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.525 ' O ' ' HG2' ' A' ' 551' ' ' LYS . 3.6 pp -64.2 -39.68 94.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.578 0.228 . . . . 0.89 110.543 177.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -61.96 -35.96 80.01 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.007 0.432 . . . . 2.23 110.954 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' ALA . . . . . 0.644 ' O ' ' HG2' ' A' ' 553' ' ' GLU . . . -62.23 -47.28 85.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.234 -0.439 . . . . 1.35 110.0 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 546' ' ' PHE . 46.9 mt-30 -57.61 -39.32 76.59 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.357 0.411 . . . . 2.38 110.431 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 75.0 mmtt -55.7 -62.18 1.86 Allowed 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.239 -0.652 . . . . 2.36 109.239 173.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 19.3 m -49.81 -37.48 30.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.535 -0.757 . . . . 2.23 112.248 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 549' ' ' ALA . 13.0 mm-40 -63.11 -66.23 0.57 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.013 0.435 . . . . 2.55 111.096 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.99 76.19 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.774 -0.648 . . . . 2.98 112.645 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -66.49 -36.04 81.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.883 0.373 . . . . 3.58 111.273 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' SER . . . . . 0.562 ' HB3' HD23 ' A' ' 557' ' ' LEU . 8.5 t -80.39 -48.25 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.906 0.384 . . . . 3.67 110.592 -176.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 556' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.177 0 CA-C-O 119.2 -0.429 . . . . 5.74 110.461 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 CA--C 1.524 -0.031 0 CA-C-O 121.034 0.445 . . . . 2.2000000000000002 110.155 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.414 ' O ' HG13 ' A' ' 537' ' ' VAL . 27.2 m -70.5 -47.71 59.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.047 -0.524 . . . . 0.53000000000000003 111.225 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . 0.408 ' HA ' HG22 ' A' ' 537' ' ' VAL . 28.2 m -62.11 -39.45 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 N-CA-C 111.824 0.305 . . . . 0.35999999999999999 111.824 -176.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.12 -37.08 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.747 -0.381 . . . . 0.81000000000000005 110.427 177.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -68.82 -44.5 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 1.3799999999999999 111.155 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 533' ' ' THR . 31.8 m -65.7 -38.83 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.828 0.346 . . . . 0.55000000000000004 110.145 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 68.4 m -65.53 -37.85 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.807 -0.633 . . . . 0.40000000000000002 110.86 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.3 tm? -65.13 -46.36 81.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.359 -0.608 . . . . 0.52000000000000002 109.359 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.37 -31.0 72.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.15 -0.477 . . . . 1.55 110.472 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.163 -0.471 . . . . 1.21 110.046 174.468 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--O 1.225 -0.196 0 N-CA-C 109.928 -0.397 . . . . 2.2000000000000002 109.928 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.443 ' O ' HG13 ' A' ' 537' ' ' VAL . 36.7 m -65.59 -45.84 81.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.335 . . . . 0.53000000000000003 111.03 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 m -66.13 -38.64 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 111.781 0.289 . . . . 0.35999999999999999 111.781 -176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.3 -33.34 67.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.59 -0.444 . . . . 0.81000000000000005 110.213 175.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.9 OUTLIER -71.5 -40.52 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.3799999999999999 111.561 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 533' ' ' THR . 32.8 m -65.66 -39.26 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.152 0.501 . . . . 0.55000000000000004 109.774 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 82.5 m -62.43 -37.83 87.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 0.40000000000000002 110.265 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.446 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.8 tm? -65.6 -42.11 92.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.552 -0.536 . . . . 0.52000000000000002 109.552 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 34.3 mm-40 -62.13 -33.22 74.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.435 -0.348 . . . . 1.55 110.791 175.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 C--N 1.322 -0.6 0 CA-C-O 121.201 0.524 . . . . 1.21 109.89 174.638 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.225 -0.185 0 CA-C-O 120.57 0.224 . . . . 2.2000000000000002 110.626 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 31.9 m -64.78 -46.36 82.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.488 -0.324 . . . . 0.53000000000000003 111.086 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.14 -39.53 85.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 121.039 -0.264 . . . . 0.35999999999999999 111.3 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.71 -32.64 65.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.613 -0.435 . . . . 0.81000000000000005 110.326 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 2.8 tmm_? -67.03 -46.92 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 1.3799999999999999 111.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 30.0 m -65.06 -39.5 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.151 0.501 . . . . 0.55000000000000004 110.23 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 95.2 m -65.86 -38.28 88.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.40000000000000002 110.495 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.8 tm? -64.08 -43.14 96.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.071 -0.513 . . . . 0.52000000000000002 109.74 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 15.0 mm100 -58.45 -36.73 74.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.573 -0.285 . . . . 1.55 110.941 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 47.3 t30 . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.402 0.62 . . . . 1.21 110.05 175.783 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.195 0 N-CA-C 109.073 -0.714 . . . . 2.2000000000000002 109.073 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 24.5 m -72.06 -47.49 51.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.765 -0.652 . . . . 0.53000000000000003 111.32 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 26.7 m -62.55 -38.9 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.644 0.239 . . . . 0.35999999999999999 111.644 -176.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.55 -35.04 67.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.81 0.338 . . . . 0.81000000000000005 110.466 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -67.62 -45.59 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.282 -0.417 . . . . 1.3799999999999999 110.96 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.43 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.078 0.466 . . . . 0.55000000000000004 110.067 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 74.2 m -63.27 -40.26 96.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.645 -0.707 . . . . 0.40000000000000002 110.94 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.469 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.9 tm? -65.71 -44.73 85.23 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.373 -0.603 . . . . 0.52000000000000002 109.373 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.52 -26.2 68.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.434 . . . . 1.55 110.931 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 109.65 -0.5 . . . . 1.21 109.65 175.731 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 535' ' ' GLU . 33.6 tt0 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 121.074 0.464 . . . . 2.2000000000000002 110.642 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.524 HG23 ' HE ' ' A' ' 536' ' ' ARG . 57.5 m -73.4 -38.81 65.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.363 -0.381 . . . . 0.53000000000000003 111.567 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . 0.461 ' HA ' HG22 ' A' ' 537' ' ' VAL . 27.2 m -64.32 -39.12 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 120.628 -0.429 . . . . 0.35999999999999999 111.245 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 532' ' ' GLN . 0.0 OUTLIER -71.26 -31.69 67.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.159 0.504 . . . . 0.81000000000000005 110.222 175.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . 0.524 ' HE ' HG23 ' A' ' 533' ' ' THR . 5.3 tmm_? -70.1 -45.08 67.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.597 -0.728 . . . . 1.3799999999999999 111.188 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 534' ' ' VAL . 29.0 m -66.34 -39.0 83.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.55000000000000004 110.04 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 52.1 m -58.94 -37.2 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.885 -0.598 . . . . 0.40000000000000002 110.782 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.441 ' CD1' HE21 ' A' ' 540' ' ' GLN . 1.9 tm? -65.52 -43.57 89.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.503 -0.554 . . . . 0.52000000000000002 109.503 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . 0.441 HE21 ' CD1' ' A' ' 539' ' ' LEU . 28.0 mm-40 -65.33 -29.48 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 1.55 110.457 174.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 109.589 -0.523 . . . . 1.21 109.589 175.033 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.779 0.323 . . . . 2.2000000000000002 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 34.8 m -75.27 -45.56 39.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.612 -0.267 . . . . 0.53000000000000003 111.502 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 27.2 m -60.48 -40.27 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.844 -0.342 . . . . 0.35999999999999999 111.312 -176.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -73.29 -36.65 66.33 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.51 -0.476 . . . . 0.81000000000000005 110.7 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -65.79 -45.35 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.659 -0.246 . . . . 1.3799999999999999 111.381 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 27.8 m -64.73 -39.26 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.55000000000000004 110.153 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 69.4 m -63.79 -38.67 91.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.40000000000000002 110.744 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.9 tm? -65.48 -43.03 91.49 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.691 -0.485 . . . . 0.52000000000000002 109.691 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.79 -31.7 72.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.906 0.384 . . . . 1.55 110.755 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.017 -0.538 . . . . 1.21 109.806 173.625 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--O 1.226 -0.182 0 CA-C-O 121.068 0.461 . . . . 2.2000000000000002 110.22 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.5 m -66.3 -46.51 76.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.53000000000000003 111.153 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 32.6 m -63.88 -39.45 85.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.801 0.297 . . . . 0.35999999999999999 111.801 -176.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.36 -33.64 65.18 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.332 -0.547 . . . . 0.81000000000000005 110.538 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 8.6 tmm_? -68.11 -43.02 79.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.813 -0.176 . . . . 1.3799999999999999 111.154 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.44 -39.5 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.218 0.532 . . . . 0.55000000000000004 110.026 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 93.5 m -64.35 -38.38 90.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 0.40000000000000002 110.151 175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.4 tm? -62.03 -39.31 91.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.671 -0.492 . . . . 0.52000000000000002 109.671 175.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.3 mm100 -58.67 -37.77 76.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.219 -0.446 . . . . 1.55 110.843 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 1.21 109.946 176.202 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 121.127 0.489 . . . . 2.2000000000000002 110.358 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 25.2 m -72.57 -45.47 59.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.004 -0.543 . . . . 0.53000000000000003 111.347 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 28.9 m -62.59 -39.0 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 111.726 0.269 . . . . 0.35999999999999999 111.726 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -72.47 -34.8 67.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.706 -0.398 . . . . 0.81000000000000005 110.3 176.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.5 tmm_? -68.71 -44.91 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 1.3799999999999999 111.178 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 28.7 m -65.36 -39.11 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.043 0.449 . . . . 0.55000000000000004 110.295 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 76.8 m -65.94 -38.97 90.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.774 -0.648 . . . . 0.40000000000000002 110.829 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.2 tm? -62.07 -45.91 91.44 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.264 -0.643 . . . . 0.52000000000000002 109.264 176.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 84.6 mm-40 -63.83 -27.91 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 1.55 111.221 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.297 -0.411 . . . . 1.21 110.132 174.81 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 120.788 0.328 . . . . 2.2000000000000002 110.134 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.9 m -69.28 -48.36 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.019 -0.537 . . . . 0.53000000000000003 111.114 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.58 -39.02 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.828 0.307 . . . . 0.35999999999999999 111.828 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -71.73 -33.31 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.675 -0.41 . . . . 0.81000000000000005 110.295 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.51 -47.02 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 1.3799999999999999 111.07 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 24.6 m -63.35 -39.63 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.55000000000000004 110.131 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 97.8 m -65.05 -38.41 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.40000000000000002 110.82 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.0 tm? -68.38 -44.18 75.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.621 -0.511 . . . . 0.52000000000000002 109.621 178.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -61.8 -32.66 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.155 -0.475 . . . . 1.55 110.742 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 . . . . . 0 C--N 1.325 -0.482 0 N-CA-C 109.493 -0.558 . . . . 1.21 109.493 175.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.781 0.324 . . . . 2.2000000000000002 110.644 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.464 HG23 ' NH2' ' A' ' 536' ' ' ARG . 29.7 m -70.54 -48.25 56.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.352 -0.385 . . . . 0.53000000000000003 111.033 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.52 -39.52 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 111.916 0.339 . . . . 0.35999999999999999 111.916 -175.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.48 -32.45 64.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.921 -0.487 . . . . 0.81000000000000005 110.73 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . 0.464 ' NH2' HG23 ' A' ' 533' ' ' THR . 5.8 tmm_? -68.44 -45.35 72.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 1.3799999999999999 111.15 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.3 m -62.64 -39.72 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.128 0.489 . . . . 0.55000000000000004 109.978 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 86.6 m -63.59 -37.49 87.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.62 -0.718 . . . . 0.40000000000000002 110.683 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.458 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.8 tm? -65.14 -44.49 88.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.492 -0.559 . . . . 0.52000000000000002 109.492 176.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . 0.8 ' HA ' HE21 ' A' ' 540' ' ' GLN . 0.0 OUTLIER -63.76 -32.93 74.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 1.55 110.514 176.349 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.21 110.098 174.91 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.836 0.351 . . . . 2.2000000000000002 110.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 32.8 m -73.21 -44.67 59.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.498 -0.319 . . . . 0.53000000000000003 111.153 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.85 -38.38 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 121.153 -0.219 . . . . 0.35999999999999999 111.35 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.61 -36.29 70.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.718 -0.393 . . . . 0.81000000000000005 110.309 175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -66.87 -43.89 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 1.3799999999999999 111.009 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.04 -38.91 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.55000000000000004 110.124 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 75.2 m -64.21 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.756 -0.656 . . . . 0.40000000000000002 111.06 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.47 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.7 tm? -62.78 -44.23 96.74 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.239 -0.652 . . . . 0.52000000000000002 109.239 175.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -64.48 -31.59 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 1.55 110.583 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 8.8 t30 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.872 -0.603 . . . . 1.21 109.981 175.235 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.781 0.324 . . . . 2.2000000000000002 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 45.0 m -70.3 -45.71 65.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.439 -0.346 . . . . 0.53000000000000003 111.281 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 34.9 m -63.04 -40.18 88.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 121.025 -0.27 . . . . 0.35999999999999999 111.67 -175.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 536' ' ' ARG . 4.6 pt-20 -72.61 -36.77 68.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.388 -0.525 . . . . 0.81000000000000005 110.373 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 535' ' ' GLU . 7.2 tmm_? -66.63 -44.28 82.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.3799999999999999 111.365 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.98 -39.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.55000000000000004 110.298 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 30.8 m -63.92 -37.8 88.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 0.40000000000000002 110.741 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.462 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.8 tm? -63.02 -44.11 96.87 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.6 -0.519 . . . . 0.52000000000000002 109.6 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.75 -34.61 78.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.05 -0.523 . . . . 1.55 110.767 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 . . . . . 0 C--N 1.326 -0.419 0 N-CA-C 109.626 -0.509 . . . . 1.21 109.626 174.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 . . . . . 0 C--O 1.222 -0.343 0 N-CA-C 110.083 -0.34 . . . . 2.2000000000000002 110.083 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 537' ' ' VAL . 50.2 m -67.79 -43.91 78.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.36 -0.382 . . . . 0.53000000000000003 111.677 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.41 -40.65 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 120.571 -0.452 . . . . 0.35999999999999999 111.635 -176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.85 -32.96 65.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.538 -0.465 . . . . 0.81000000000000005 110.282 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.1 OUTLIER -69.82 -41.92 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.3799999999999999 111.724 -179.184 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 533' ' ' THR . 33.1 m -65.37 -39.84 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.264 0.554 . . . . 0.55000000000000004 109.85 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 95.0 m -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.517 -0.765 . . . . 0.40000000000000002 110.294 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.2 tm? -66.84 -44.53 80.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.733 -0.667 . . . . 0.52000000000000002 109.776 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.0 mm100 -58.37 -33.36 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 1.55 110.971 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 121.17 0.509 . . . . 1.21 109.937 175.186 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.183 0.516 . . . . 2.2000000000000002 110.145 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.1 m -70.59 -46.96 62.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.787 -0.642 . . . . 0.53000000000000003 111.094 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . 0.481 ' HA ' HG22 ' A' ' 537' ' ' VAL . 28.9 m -63.25 -39.28 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 111.732 0.271 . . . . 0.35999999999999999 111.732 -176.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.42 -34.07 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.81000000000000005 110.45 177.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -71.69 -46.14 59.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.445 . . . . 1.3799999999999999 111.119 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 534' ' ' VAL . 32.1 m -64.29 -39.23 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.928 -0.397 . . . . 0.55000000000000004 109.928 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 48.2 m -60.88 -42.57 98.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.675 -0.693 . . . . 0.40000000000000002 110.821 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.454 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.2 tm? -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.504 -0.554 . . . . 0.52000000000000002 109.504 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -61.82 -33.75 74.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 1.55 110.669 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 66.2 t30 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 1.21 109.968 177.516 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.98 0.419 . . . . 2.2000000000000002 110.342 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.3 m -69.86 -44.87 68.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.53000000000000003 111.622 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 26.9 m -64.13 -40.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.858 -0.337 . . . . 0.35999999999999999 111.623 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -72.91 -32.88 65.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.951 -0.468 . . . . 0.81000000000000005 110.379 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.3 tmm_? -67.53 -45.83 74.58 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.617 -0.265 . . . . 1.3799999999999999 111.015 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.3 m -62.31 -39.74 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.141 0.496 . . . . 0.55000000000000004 110.01 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 89.6 m -63.87 -38.58 91.62 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.40000000000000002 110.472 175.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.6 tm? -66.8 -42.4 86.02 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.886 -0.597 . . . . 0.52000000000000002 109.8 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 14.6 mm100 -61.9 -34.15 75.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 1.55 110.744 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 1.21 109.628 175.541 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 111.773 -0.531 . . . . 9.0999999999999996 111.773 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 22.7 t 73.1 -28.92 0.19 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.66 0.784 . . . . 7.4699999999999998 112.326 176.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 5.0 p -57.08 -44.46 83.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 111.958 0.355 . . . . 6.4000000000000004 111.958 -176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -37.16 86.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.84 0.352 . . . . 7.4000000000000004 111.004 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 35.2 m -74.95 -47.83 27.55 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.083 -0.508 . . . . 5.7000000000000002 110.933 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.47 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 43.4 t -69.12 -34.44 75.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.791 -0.64 . . . . 4.96 110.943 -176.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 49.5 ttm -59.71 -34.52 73.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.602 0.239 . . . . 5.7999999999999998 110.707 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 16.6 m -69.75 -49.21 55.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.901 0.382 . . . . 4.5199999999999996 110.932 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.5 pp -67.94 -41.31 82.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.865 0.364 . . . . 3.8599999999999999 111.486 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.511 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -64.73 -40.5 95.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.88 -0.6 . . . . 2.96 111.448 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . 0.422 ' HA ' ' HB ' ' A' ' 523' ' ' VAL . 37.5 p -66.06 -36.88 84.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.505 -0.478 . . . . 2.98 110.654 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -61.92 -44.65 96.35 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.774 -0.371 . . . . 3.8500000000000001 110.06 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 518' ' ' LEU . 89.9 t -58.98 -39.47 78.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 2.0699999999999998 110.025 173.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . 0.637 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.7 t -60.92 -39.74 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 115.618 -0.719 . . . . 1.98 111.137 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 528' ' ' GLN . 2.0 mptm? -60.02 -45.01 94.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.693 0.282 . . . . 2.48 110.602 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 9.7 mp -65.38 -48.22 73.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.47 -0.332 . . . . 1.6200000000000001 111.226 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 523' ' ' VAL . 10.7 t -65.87 -32.95 74.75 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.948 -0.301 . . . . 1.3999999999999999 110.52 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 17.0 tppt? -63.07 -48.63 77.85 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.552 -0.295 . . . . 1.6000000000000001 110.441 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 524' ' ' LYS . 22.6 mt-30 -64.92 -37.19 86.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 2.5600000000000001 110.812 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 526' ' ' THR . 96.3 mt -60.99 -46.08 92.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.147 0.498 . . . . 0.68999999999999995 110.312 176.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 530' ' ' LYS . 33.0 mmtp -64.21 -42.22 96.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.769 -0.651 . . . . 2.7799999999999998 110.898 178.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 527' ' ' LYS . 47.4 mt-10 -62.37 -44.97 95.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.86 -0.154 . . . . 1.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.65 -38.52 88.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.034 0.445 . . . . 2.2000000000000002 110.155 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.414 ' O ' HG13 ' A' ' 537' ' ' VAL . 27.2 m -70.5 -47.71 59.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.047 -0.524 . . . . 0.53000000000000003 111.225 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 531' ' ' GLU . 28.2 m -62.11 -39.45 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.108 0 N-CA-C 111.824 0.305 . . . . 0.35999999999999999 111.824 -176.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.8 pt-20 -72.12 -37.08 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.747 -0.381 . . . . 0.81000000000000005 110.427 177.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -68.82 -44.5 73.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 1.3799999999999999 111.155 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 533' ' ' THR . 31.8 m -65.7 -38.83 83.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.828 0.346 . . . . 0.55000000000000004 110.145 178.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.457 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 68.4 m -65.53 -37.85 87.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.807 -0.633 . . . . 0.40000000000000002 110.86 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.3 tm? -65.13 -46.36 81.28 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.359 -0.608 . . . . 0.52000000000000002 109.359 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -63.37 -31.0 72.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.15 -0.477 . . . . 1.55 110.472 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . 0.438 ' O ' ' HG3' ' A' ' 545' ' ' GLN . 27.2 t-20 -64.61 -42.55 95.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.163 -0.471 . . . . 1.21 110.046 174.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 538' ' ' THR . 53.2 mt-30 -63.63 -38.86 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 1.98 109.829 175.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.5 tt -67.5 -32.62 73.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 0.60999999999999999 109.934 176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.509 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 6.7 tt0 -62.58 -45.91 90.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 1.6399999999999999 109.51 174.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 541' ' ' ASN . 69.7 mt-30 -60.87 -36.07 78.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.971 -0.559 . . . . 2.2000000000000002 109.872 174.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.552 ' O ' ' HG2' ' A' ' 550' ' ' GLN . 1.6 t80 -67.35 -50.94 57.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.56 -0.746 . . . . 1.3799999999999999 110.876 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.8 pp -64.63 -35.44 81.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.738 0.304 . . . . 0.89000000000000001 110.227 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.47 -45.83 92.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.574 . . . . 2.23 111.053 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.52 75.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.988 0.423 . . . . 1.3500000000000001 110.702 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 546' ' ' PHE . 15.2 mm100 -68.36 -47.57 67.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.241 0.543 . . . . 2.3799999999999999 110.427 177.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -20.03 61.67 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.822 -0.626 . . . . 2.3599999999999999 109.929 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.527 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 68.7 m -68.03 -28.11 67.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.308 -0.406 . . . . 2.23 110.43 172.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -81.78 -36.16 28.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.17 0.509 . . . . 2.5499999999999998 109.946 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -69.84 -31.09 70.02 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.477 -0.783 . . . . 2.98 112.579 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 61.5 pttt -78.55 -7.56 57.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.236 0.541 . . . . 3.5800000000000001 110.6 177.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 19.9 t -99.18 161.07 13.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.607 -0.724 . . . . 3.6699999999999999 109.95 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--O 1.244 0.768 0 CA-C-O 118.574 -0.727 . . . . 5.7400000000000002 109.632 179.048 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.767 -0.533 . . . . 9.0999999999999996 111.767 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 70.2 m -153.72 84.75 1.17 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.017 0.437 . . . . 7.4699999999999998 110.31 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 38.6 t -106.25 -54.01 6.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.095 -0.502 . . . . 6.4000000000000004 109.809 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 513' ' ' GLU . 0.1 OUTLIER -65.45 -39.71 92.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.417 -0.81 . . . . 7.4000000000000004 110.447 179.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . 0.463 ' O ' ' HG ' ' A' ' 518' ' ' LEU . 0.8 OUTLIER -69.31 -46.61 66.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.159 -0.473 . . . . 5.7000000000000002 110.882 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 40.6 t -62.15 -39.78 93.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 4.96 110.65 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 42.6 ttm -62.36 -41.56 98.7 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.85 -0.34 . . . . 5.7999999999999998 110.507 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 46.4 t -66.75 -47.98 70.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 4.5199999999999996 110.854 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.7 pp -67.11 -40.76 86.92 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.806 -0.358 . . . . 3.8599999999999999 111.626 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.567 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.87 -40.23 96.87 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.241 0.338 . . . . 2.96 111.205 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 49.9 m -63.88 -40.0 95.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.319 -0.252 . . . . 2.98 110.319 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . 0.407 ' O ' HD13 ' A' ' 525' ' ' LEU . 20.8 mm-40 -65.67 -38.34 89.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.689 -0.232 . . . . 3.8500000000000001 110.42 176.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 518' ' ' LEU . 89.2 t -61.1 -40.35 85.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.019 0.437 . . . . 2.0699999999999998 109.864 173.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . 0.55 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.5 t -62.41 -41.09 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.851 -0.613 . . . . 1.98 111.05 176.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -65.51 -41.45 93.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.974 0.416 . . . . 2.48 110.437 175.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 521' ' ' GLN . 5.9 mp -64.02 -48.56 75.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.935 -0.575 . . . . 1.6200000000000001 110.795 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 523' ' ' VAL . 7.6 t -64.37 -33.57 76.16 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.987 -0.285 . . . . 1.3999999999999999 110.281 -178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.01 -50.43 68.53 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.984 0.421 . . . . 1.6000000000000001 110.207 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.36 -47.82 63.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.71 -0.677 . . . . 2.5600000000000001 110.824 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.47 -47.0 68.24 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.03 0.382 . . . . 0.68999999999999995 112.03 -175.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -60.9 -48.73 80.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.675 0.274 . . . . 2.7799999999999998 110.606 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.54 ' HA ' HG22 ' A' ' 534' ' ' VAL . 31.9 mt-10 -71.36 -34.22 70.26 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.141 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -61.34 -38.0 85.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.928 -0.397 . . . . 2.2000000000000002 109.928 172.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.443 ' O ' HG13 ' A' ' 537' ' ' VAL . 36.7 m -65.59 -45.84 81.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.464 -0.335 . . . . 0.53000000000000003 111.03 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 531' ' ' GLU . 35.6 m -66.13 -38.64 82.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 111.781 0.289 . . . . 0.35999999999999999 111.781 -176.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 10.8 pt-20 -72.3 -33.34 67.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.59 -0.444 . . . . 0.81000000000000005 110.213 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.9 OUTLIER -71.5 -40.52 70.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 1.3799999999999999 111.561 -179.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 533' ' ' THR . 32.8 m -65.66 -39.26 84.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.152 0.501 . . . . 0.55000000000000004 109.774 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 82.5 m -62.43 -37.83 87.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.614 -0.721 . . . . 0.40000000000000002 110.265 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.66 ' HA ' HE21 ' A' ' 542' ' ' GLN . 1.8 tm? -65.6 -42.11 92.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.552 -0.536 . . . . 0.52000000000000002 109.552 174.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 34.3 mm-40 -62.13 -33.22 74.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.435 -0.348 . . . . 1.55 110.791 175.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . 0.434 ' O ' ' HB3' ' A' ' 544' ' ' GLN . 44.8 t30 -63.48 -42.91 98.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.201 0.524 . . . . 1.21 109.89 174.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' ' 539' ' ' LEU . 49.8 mt-30 -63.87 -39.03 93.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.605 -0.725 . . . . 1.98 109.965 175.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.1 tt -67.75 -32.14 72.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.686 . . . . 0.60999999999999999 110.244 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.622 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 9.0 tt0 -60.78 -46.17 91.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.162 -0.472 . . . . 1.6399999999999999 110.144 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -60.11 -37.27 79.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.568 0.699 . . . . 2.2000000000000002 110.019 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.466 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.0 t80 -68.01 -46.01 72.47 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.191 -0.913 . . . . 1.3799999999999999 111.648 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.4 pp -64.9 -35.22 80.44 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 122.106 -0.371 . . . . 0.89000000000000001 110.704 176.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.03 -36.75 77.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.271 -0.422 . . . . 2.23 111.095 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.95 86.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.33 -0.395 . . . . 1.3500000000000001 110.225 175.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -60.63 -37.26 80.87 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.095 0.474 . . . . 2.3799999999999999 110.434 176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 73.8 mmtt -67.82 -43.41 79.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.083 -0.508 . . . . 2.3599999999999999 110.229 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.503 ' HA ' ' HE3' ' A' ' 555' ' ' LYS . 16.7 m -72.66 -46.17 55.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.85 -0.614 . . . . 2.23 111.399 -177.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -74.96 -34.69 62.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.011 0.434 . . . . 2.5499999999999998 110.831 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.16 -41.5 92.24 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.931 -0.577 . . . . 2.98 112.437 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 552' ' ' SER . 19.5 pttp -69.91 -20.73 63.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.801 0.334 . . . . 3.5800000000000001 110.871 178.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 33.2 t -72.38 130.62 41.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.029 0.442 . . . . 3.6699999999999999 110.712 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 58.0 tp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.746 -0.645 . . . . 5.7400000000000002 109.595 179.603 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . 0.663 ' N ' ' HG1' ' A' ' 514' ' ' THR . . . . . . . . 0 N--CA 1.478 1.441 0 N-CA-C 111.889 -0.484 . . . . 9.0999999999999996 111.889 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 16.2 m -92.36 -65.96 0.96 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.834 0.35 . . . . 7.4699999999999998 111.602 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 62.7 t -99.75 -54.98 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 112.457 0.54 . . . . 6.4000000000000004 112.457 -171.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -47.93 76.85 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.73 0.641 . . . . 7.4000000000000004 112.73 -168.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . 0.663 ' HG1' ' N ' ' A' ' 510' ' ' GLY . 9.7 p -66.15 -47.83 72.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.705 0.288 . . . . 5.7000000000000002 111.511 -176.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 17.8 m -64.51 -37.04 86.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.099 -0.5 . . . . 4.96 110.507 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.2 -42.48 96.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 5.7999999999999998 110.751 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 49.7 m -66.62 -46.73 74.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.672 -0.24 . . . . 4.5199999999999996 111.617 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.5 pp -65.36 -38.84 91.26 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.691 -0.404 . . . . 3.8599999999999999 111.361 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.562 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -65.71 -42.35 91.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.455 -0.338 . . . . 2.96 110.619 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 48.4 m -63.94 -37.7 88.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 2.98 110.301 176.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -61.95 -46.05 90.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.124 -0.489 . . . . 3.8500000000000001 109.756 176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 518' ' ' LEU . 88.8 t -58.57 -41.15 81.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.03 -0.532 . . . . 2.0699999999999998 110.326 175.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . 0.415 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.7 t -63.65 -40.08 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.653 -0.703 . . . . 1.98 110.77 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -65.25 -38.47 90.42 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.204 -0.199 . . . . 2.48 110.918 175.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 7.9 mp -63.33 -49.27 74.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.677 0.275 . . . . 1.6200000000000001 110.765 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.452 ' HA ' HD12 ' A' ' 529' ' ' LEU . 6.7 t -66.83 -34.41 77.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.248 -0.433 . . . . 1.3999999999999999 110.494 -177.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -64.19 -48.23 76.73 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.049 0.452 . . . . 1.6000000000000001 110.117 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.34 -37.56 87.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.626 -0.715 . . . . 2.5600000000000001 110.956 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.4 mt -60.99 -47.0 88.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.533 0.206 . . . . 0.68999999999999995 111.014 -179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -61.84 -48.65 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 2.7799999999999998 111.297 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -68.16 -35.76 78.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.827 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -63.86 -39.59 94.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.451 -0.34 . . . . 2.2000000000000002 110.626 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 31.9 m -64.78 -46.36 82.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.488 -0.324 . . . . 0.53000000000000003 111.086 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 35.6 m -65.14 -39.53 85.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 121.039 -0.264 . . . . 0.35999999999999999 111.3 -177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.71 -32.64 65.9 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 120.613 -0.435 . . . . 0.81000000000000005 110.326 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 2.8 tmm_? -67.03 -46.92 72.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 1.3799999999999999 111.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 30.0 m -65.06 -39.5 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.151 0.501 . . . . 0.55000000000000004 110.23 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 95.2 m -65.86 -38.28 88.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.40000000000000002 110.495 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.8 tm? -64.08 -43.14 96.33 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.071 -0.513 . . . . 0.52000000000000002 109.74 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 15.0 mm100 -58.45 -36.73 74.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.573 -0.285 . . . . 1.55 110.941 176.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -63.65 -46.0 87.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.402 0.62 . . . . 1.21 110.05 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -64.38 -41.32 96.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.715 -0.675 . . . . 1.98 110.142 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.805 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 7.9 tt -67.24 -32.77 74.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.60999999999999999 110.623 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.474 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 47.9 tt0 -59.69 -45.61 91.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.5 -0.556 . . . . 1.6399999999999999 109.5 174.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -68.52 -35.97 78.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.632 -0.713 . . . . 2.2000000000000002 110.288 175.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.805 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.0 t80 -62.47 -49.44 75.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.627 -0.715 . . . . 1.3799999999999999 111.375 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.6 pp -64.74 -39.52 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.815 0.34 . . . . 0.89000000000000001 110.591 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -61.53 -37.7 84.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 2.23 110.691 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.56 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 1.3500000000000001 110.243 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 546' ' ' PHE . 85.5 mm-40 -59.39 -33.7 71.53 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.951 0.405 . . . . 2.3799999999999999 110.975 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 74.9 mmtt -62.56 -53.57 52.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.085 -0.507 . . . . 2.3599999999999999 110.344 175.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 48.6 m -65.95 -36.1 82.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.026 -0.534 . . . . 2.23 111.536 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -72.21 -37.1 69.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.946 0.403 . . . . 2.5499999999999998 110.776 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -79.71 -37.05 24.21 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 116.006 -0.543 . . . . 2.98 112.823 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.21 -26.86 65.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 3.5800000000000001 110.831 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 9.4 t -97.57 -173.05 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.822 0.344 . . . . 3.6699999999999999 110.456 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.268 -0.873 . . . . 5.7400000000000002 109.678 178.493 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 112.171 -0.372 . . . . 9.0999999999999996 112.171 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 18.1 p -115.65 8.37 15.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.866 0.365 . . . . 7.4699999999999998 111.055 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 91.7 t -105.06 -56.21 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.452 -0.34 . . . . 6.4000000000000004 111.054 -176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 513' ' ' GLU . 1.5 pm0 -60.55 -34.11 73.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 7.4000000000000004 111.993 -173.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 10.0 p -66.86 -52.19 46.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.666 0.27 . . . . 5.7000000000000002 111.284 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 16.8 m -70.14 -33.67 72.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.293 0.568 . . . . 4.96 110.034 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.53 -33.39 73.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.183 -0.462 . . . . 5.7999999999999998 110.29 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 38.8 t -67.78 -47.24 69.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 4.5199999999999996 110.831 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.7 pp -66.34 -40.51 89.9 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 120.775 -0.37 . . . . 3.8599999999999999 111.148 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.561 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -63.32 -40.09 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.368 -0.378 . . . . 2.96 110.941 176.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 8.5 t -63.84 -39.04 93.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.073 0.463 . . . . 2.98 110.227 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . 0.485 HE21 ' HA ' ' A' ' 518' ' ' LEU . 46.9 mt-30 -63.98 -45.72 87.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.987 -0.551 . . . . 3.8500000000000001 110.749 176.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 518' ' ' LEU . 85.0 t -58.97 -40.72 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.13 0.49 . . . . 2.0699999999999998 110.062 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.05 -39.9 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 115.635 -0.711 . . . . 1.98 110.545 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -62.17 -45.25 94.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 2.48 111.096 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.2 mp -63.9 -39.98 95.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 1.6200000000000001 110.649 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 1.2 m -69.61 -39.9 76.94 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 116.052 -0.522 . . . . 1.3999999999999999 110.358 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 16.6 tppt? -63.27 -42.74 99.17 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.81 -0.441 . . . . 1.6000000000000001 109.81 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.74 -46.21 91.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.585 -0.734 . . . . 2.5600000000000001 110.616 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 96.5 mt -60.69 -45.72 93.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.246 -0.434 . . . . 0.68999999999999995 110.475 178.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -59.43 -44.63 92.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.586 . . . . 2.7799999999999998 110.955 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.495 ' HA ' HG22 ' A' ' 534' ' ' VAL . 42.5 mt-10 -66.08 -38.84 89.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.857 0.361 . . . . 1.0 110.864 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -33.75 74.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.073 -0.714 . . . . 2.2000000000000002 109.073 175.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 24.5 m -72.06 -47.49 51.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.765 -0.652 . . . . 0.53000000000000003 111.32 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' A' ' 531' ' ' GLU . 26.7 m -62.55 -38.9 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 111.644 0.239 . . . . 0.35999999999999999 111.644 -176.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -72.55 -35.04 67.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.81 0.338 . . . . 0.81000000000000005 110.466 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -67.62 -45.59 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.282 -0.417 . . . . 1.3799999999999999 110.96 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 28.1 m -63.43 -38.5 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.078 0.466 . . . . 0.55000000000000004 110.067 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 74.2 m -63.27 -40.26 96.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.645 -0.707 . . . . 0.40000000000000002 110.94 176.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.469 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.9 tm? -65.71 -44.73 85.23 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.373 -0.603 . . . . 0.52000000000000002 109.373 177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -64.52 -26.2 68.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.244 -0.434 . . . . 1.55 110.931 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' A' ' 544' ' ' GLN . 7.1 t30 -71.0 -39.44 72.43 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.65 -0.5 . . . . 1.21 109.65 175.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 538' ' ' THR . 88.6 mt-30 -68.83 -36.18 77.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.076 -0.511 . . . . 1.98 109.767 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.498 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.6 tt -67.81 -32.63 73.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 0.60999999999999999 109.669 174.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.616 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 27.8 tt0 -62.14 -45.83 91.71 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.097 -0.502 . . . . 1.6399999999999999 109.654 174.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -60.19 -37.02 78.97 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.798 -0.637 . . . . 2.2000000000000002 110.033 174.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.498 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.7 t80 -65.59 -49.55 68.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.421 -0.809 . . . . 1.3799999999999999 111.117 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.6 pp -64.74 -34.6 78.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.554 0.216 . . . . 0.89000000000000001 110.877 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.0 -40.25 95.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.237 -0.438 . . . . 2.23 110.866 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.69 89.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 1.3500000000000001 109.965 175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -60.18 -37.61 80.72 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.049 -0.523 . . . . 2.3799999999999999 110.335 176.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 45.8 mmtm -65.34 -55.49 17.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.019 -0.537 . . . . 2.3599999999999999 110.322 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 20.1 m -58.94 -27.76 65.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 2.23 112.19 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -87.44 -45.5 10.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 2.5499999999999998 110.999 177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -73.29 -22.77 78.49 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 116.01 -0.541 . . . . 2.98 113.16 -175.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -73.5 -15.61 61.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.124 0.488 . . . . 3.5800000000000001 110.646 178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.0 t -91.28 106.48 18.53 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.944 -0.571 . . . . 3.6699999999999999 110.121 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.698 ' H ' HD23 ' A' ' 557' ' ' LEU . 1.5 pt? . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.481 -0.771 . . . . 5.7400000000000002 110.132 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 112.423 -0.271 . . . . 9.0999999999999996 112.423 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 25.4 m -96.5 27.82 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.793 0.33 . . . . 7.4699999999999998 110.606 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 512' ' ' VAL . 4.8 t 63.34 17.84 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.777 0.799 . . . . 6.4000000000000004 110.19 -178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . 0.419 ' HG2' HG23 ' A' ' 514' ' ' THR . 0.1 OUTLIER -66.27 -42.16 88.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.618 -0.719 . . . . 7.4000000000000004 110.855 -176.749 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . 0.419 HG23 ' HG2' ' A' ' 513' ' ' GLU . 25.5 p -90.43 -37.24 14.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.945 -0.57 . . . . 5.7000000000000002 110.553 178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.512 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 51.7 t -63.44 -37.81 88.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.349 -0.841 . . . . 4.96 111.007 -178.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 55.8 ttp -61.89 -36.5 81.48 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.719 -0.392 . . . . 5.7999999999999998 110.394 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 27.4 m -69.88 -47.07 63.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.227 -0.442 . . . . 4.5199999999999996 111.281 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.569 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.8 pp -67.94 -43.26 79.53 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.734 -0.386 . . . . 3.8599999999999999 111.701 178.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.569 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.43 -42.89 99.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.613 -0.267 . . . . 2.96 111.452 -178.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 45.5 p -67.15 -35.7 80.26 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.315 -0.254 . . . . 2.98 110.315 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.71 -47.37 83.89 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.778 -0.453 . . . . 3.8500000000000001 109.778 176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 518' ' ' LEU . 97.2 t -58.23 -40.51 77.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.089 0.471 . . . . 2.0699999999999998 110.237 175.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 3.1 t -62.39 -40.43 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.818 -0.628 . . . . 1.98 110.754 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -64.93 -39.45 93.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.647 -0.251 . . . . 2.48 111.056 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.1 mp -61.84 -41.27 97.59 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.883 0.373 . . . . 1.6200000000000001 110.158 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -36.55 80.11 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 116.048 -0.524 . . . . 1.3999999999999999 110.158 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 4.5 tppp? -65.73 -45.88 80.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.919 -0.582 . . . . 1.6000000000000001 110.013 175.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -60.83 -43.76 97.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.827 -0.624 . . . . 2.5600000000000001 110.58 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.8 mt -60.82 -45.12 95.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.231 0.538 . . . . 0.68999999999999995 110.646 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . 0.414 ' HB2' ' HE2' ' A' ' 530' ' ' LYS . 25.6 ttmm -63.26 -48.3 78.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.703 . . . . 2.7799999999999998 111.075 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.542 ' HA ' HG22 ' A' ' 534' ' ' VAL . 54.0 mt-10 -63.16 -36.63 84.25 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.202 0.525 . . . . 1.0 110.725 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 535' ' ' GLU . 33.6 tt0 -65.89 -40.19 91.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.809 -0.632 . . . . 2.2000000000000002 110.642 175.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.524 HG23 ' HE ' ' A' ' 536' ' ' ARG . 57.5 m -73.4 -38.81 65.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.363 -0.381 . . . . 0.53000000000000003 111.567 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 531' ' ' GLU . 27.2 m -64.32 -39.12 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 120.628 -0.429 . . . . 0.35999999999999999 111.245 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 532' ' ' GLN . 0.0 OUTLIER -71.26 -31.69 67.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.159 0.504 . . . . 0.81000000000000005 110.222 175.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.524 ' HE ' HG23 ' A' ' 533' ' ' THR . 5.3 tmm_? -70.1 -45.08 67.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.597 -0.728 . . . . 1.3799999999999999 111.188 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.461 HG22 ' HA ' ' A' ' 534' ' ' VAL . 29.0 m -66.34 -39.0 83.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.55000000000000004 110.04 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 52.1 m -58.94 -37.2 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.885 -0.598 . . . . 0.40000000000000002 110.782 175.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.441 ' CD1' HE21 ' A' ' 540' ' ' GLN . 1.9 tm? -65.52 -43.57 89.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.503 -0.554 . . . . 0.52000000000000002 109.503 176.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . 0.441 HE21 ' CD1' ' A' ' 539' ' ' LEU . 28.0 mm-40 -65.33 -29.48 70.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 1.55 110.457 174.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 545' ' ' GLN . 43.8 t-20 -68.78 -39.53 80.15 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.589 -0.523 . . . . 1.21 109.589 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 538' ' ' THR . 31.1 mm-40 -61.02 -39.9 91.54 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.317 -0.623 . . . . 1.98 109.317 173.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.574 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.7 tt -68.43 -35.77 78.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.517 -0.765 . . . . 0.60999999999999999 110.415 176.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.599 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 32.9 tt0 -59.93 -46.57 88.97 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.283 0.563 . . . . 1.6399999999999999 109.515 174.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 541' ' ' ASN . 75.7 mt-30 -64.4 -32.98 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.484 -0.78 . . . . 2.2000000000000002 110.214 175.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.574 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 0.9 OUTLIER -65.15 -50.57 65.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.858 -0.61 . . . . 1.3799999999999999 110.866 177.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.8 pp -64.85 -38.09 89.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.89000000000000001 110.512 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -66.34 -34.45 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.294 -0.412 . . . . 2.23 110.997 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.16 77.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.977 0.418 . . . . 1.3500000000000001 110.127 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.496 ' OE1' ' HA ' ' A' ' 547' ' ' LEU . 47.5 mt-30 -66.74 -42.81 85.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 2.3799999999999999 109.81 173.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 75.0 mmtt -60.95 -40.73 94.44 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.878 -0.601 . . . . 2.3599999999999999 110.309 177.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 22.5 m -55.66 -36.37 67.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.939 -0.573 . . . . 2.23 110.785 178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -79.69 -46.55 16.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.44 . . . . 2.5499999999999998 110.452 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -66.38 -26.77 72.74 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.534 -0.757 . . . . 2.98 113.498 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -75.75 -12.71 60.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.03 0.443 . . . . 3.5800000000000001 110.645 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 18.9 t -97.66 -42.7 7.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.856 -0.611 . . . . 3.6699999999999999 109.662 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.323 -0.846 . . . . 5.7400000000000002 109.142 179.317 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.87 -0.492 . . . . 9.0999999999999996 111.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 2.8 p -112.29 -14.38 13.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.543 0.211 . . . . 7.4699999999999998 111.369 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 25.3 t -59.51 -41.58 85.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.441 -0.345 . . . . 6.4000000000000004 110.397 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 514' ' ' THR . 7.1 pt-20 -56.33 -42.41 77.65 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.084 -0.507 . . . . 7.4000000000000004 110.789 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . 0.414 ' N ' ' HG3' ' A' ' 513' ' ' GLU . 2.6 m -66.56 -52.12 49.01 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.966 -0.561 . . . . 5.7000000000000002 110.707 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.409 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 58.9 m -62.64 -36.64 83.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 4.96 111.355 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 17.0 tmm? -63.05 -42.11 99.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.034 0.445 . . . . 5.7999999999999998 109.989 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 25.1 m -67.5 -47.35 70.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.881 -0.599 . . . . 4.5199999999999996 111.198 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.8 pp -66.86 -41.71 86.88 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.071 -0.252 . . . . 3.8599999999999999 111.657 -178.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.591 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.03 -43.3 99.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.606 0.241 . . . . 2.96 111.068 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 19.5 m -63.71 -39.68 94.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.995 0.426 . . . . 2.98 110.248 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -61.85 -49.11 77.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.621 . . . . 3.8500000000000001 110.116 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 518' ' ' LEU . 94.7 t -60.95 -40.22 84.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 2.0699999999999998 110.555 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.87 -40.98 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.214 -0.448 . . . . 1.98 110.772 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -42.99 80.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.723 -0.217 . . . . 2.48 111.346 177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 8.0 mp -63.24 -42.06 99.16 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.031 0.443 . . . . 1.6200000000000001 110.372 176.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 1.3 m -68.43 -38.84 81.55 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 115.606 -0.725 . . . . 1.3999999999999999 110.451 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . 0.5 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 4.0 tppp? -60.46 -46.33 90.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 1.6000000000000001 110.217 177.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . 0.503 ' O ' ' HG2' ' A' ' 532' ' ' GLN . 7.7 tt0 -61.23 -48.11 82.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.906 -0.588 . . . . 2.5600000000000001 110.552 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 93.7 mt -60.58 -45.29 94.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.68999999999999995 110.766 -179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . 0.485 ' O ' HG13 ' A' ' 534' ' ' VAL . 26.5 tptp -57.44 -49.02 77.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.225 -0.898 . . . . 2.7799999999999998 110.998 -177.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 535' ' ' GLU . 55.5 mt-10 -71.92 -45.24 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.342 -175.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 528' ' ' GLN . 12.8 mm100 -63.49 -33.72 76.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.392 -0.367 . . . . 2.2000000000000002 110.588 -178.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 34.8 m -75.27 -45.56 39.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.612 -0.267 . . . . 0.53000000000000003 111.502 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 530' ' ' LYS . 27.2 m -60.48 -40.27 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 C-N-CA 120.844 -0.342 . . . . 0.35999999999999999 111.312 -176.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.7 pt-20 -73.29 -36.65 66.33 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.51 -0.476 . . . . 0.81000000000000005 110.7 176.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -65.79 -45.35 82.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.659 -0.246 . . . . 1.3799999999999999 111.381 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 27.8 m -64.73 -39.26 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.391 . . . . 0.55000000000000004 110.153 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 69.4 m -63.79 -38.67 91.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.924 -0.58 . . . . 0.40000000000000002 110.744 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.9 tm? -65.48 -43.03 91.49 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.691 -0.485 . . . . 0.52000000000000002 109.691 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -65.79 -31.7 72.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.906 0.384 . . . . 1.55 110.755 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.45 -42.23 98.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.017 -0.538 . . . . 1.21 109.806 173.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -66.73 -40.76 88.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.558 -0.746 . . . . 1.98 110.381 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 7.8 tt -66.61 -33.01 74.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.003 -0.544 . . . . 0.60999999999999999 110.03 179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.479 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 28.1 tt0 -63.63 -44.59 93.45 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.547 -0.538 . . . . 1.6399999999999999 109.547 173.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -60.9 -38.87 87.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.882 -0.599 . . . . 2.2000000000000002 110.221 172.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.62 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.7 t80 -67.62 -48.15 67.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.595 -0.73 . . . . 1.3799999999999999 111.563 -177.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 4.2 pp -64.08 -34.88 79.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.311 0.577 . . . . 0.89000000000000001 110.281 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.435 ' HA ' ' HG2' ' A' ' 551' ' ' LYS . 29.9 mm-40 -70.55 -34.81 72.67 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.628 -0.715 . . . . 2.23 111.353 173.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.1 -35.58 79.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.798 0.333 . . . . 1.3500000000000001 110.128 173.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 546' ' ' PHE . 43.0 mt-30 -62.9 -40.72 98.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.013 -0.539 . . . . 2.3799999999999999 109.754 174.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 548' ' ' GLU . 38.8 mmtm -56.63 -50.77 71.06 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.354 -0.61 . . . . 2.3599999999999999 109.354 173.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.87 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 24.2 m -56.59 -39.23 73.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 2.23 111.803 -178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -67.85 -38.95 83.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 2.5499999999999998 110.875 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -80.06 -38.89 17.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.963 -0.637 . . . . 2.98 112.794 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 52.9 pttt -76.64 -8.9 58.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.781 0.324 . . . . 3.5800000000000001 111.066 -177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 557' ' ' LEU . 23.4 t -61.6 -64.04 1.07 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.306 -0.627 . . . . 3.6699999999999999 109.306 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 556' ' ' SER . 22.4 tp . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.749 -0.66 . . . . 5.7400000000000002 109.255 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 112.118 -0.393 . . . . 9.0999999999999996 112.118 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 45.7 m -81.86 -44.79 16.4 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.275 0.23 . . . . 7.4699999999999998 111.462 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.56 -25.3 32.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.226 0.536 . . . . 6.4000000000000004 109.782 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.55 -44.89 89.82 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.228 -0.896 . . . . 7.4000000000000004 110.043 172.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . 0.493 ' O ' ' HG ' ' A' ' 518' ' ' LEU . 5.6 m -62.98 -46.32 88.26 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.777 -0.647 . . . . 5.7000000000000002 110.724 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 35.8 m -58.97 -47.03 86.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 4.96 110.997 -178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 58.6 ttp -63.01 -36.83 84.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.942 0.401 . . . . 5.7999999999999998 110.406 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 41.5 t -67.68 -47.93 68.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.148 -0.478 . . . . 4.5199999999999996 111.036 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.7 pp -68.16 -42.11 80.55 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.901 0.334 . . . . 3.8599999999999999 111.901 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.603 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.22 -44.26 96.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.792 0.293 . . . . 2.96 111.792 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 19.6 p -67.86 -36.16 79.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.379 . . . . 2.98 110.362 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.32 -48.86 77.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.984 -0.553 . . . . 3.8500000000000001 109.93 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.97 -41.25 85.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 2.0699999999999998 110.618 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.81 -40.83 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 115.89 -0.595 . . . . 1.98 110.635 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.35 -40.03 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.492 -0.322 . . . . 2.48 111.187 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 8.6 mp -65.21 -48.24 74.07 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 121.191 -0.204 . . . . 1.6200000000000001 111.01 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 3.4 t -65.85 -37.93 87.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.753 0.311 . . . . 1.3999999999999999 110.734 -177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -69.37 -38.35 78.0 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.902 -0.407 . . . . 1.6000000000000001 109.902 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -61.16 -45.18 95.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.721 -0.672 . . . . 2.5600000000000001 110.272 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.5 mt -60.46 -45.68 92.81 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.564 -0.744 . . . . 0.68999999999999995 110.653 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -69.91 -46.15 66.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.644 -0.707 . . . . 2.7799999999999998 111.892 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 535' ' ' GLU . 43.4 mt-10 -62.43 -36.82 83.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.603 0.24 . . . . 1.0 110.715 178.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -62.06 -43.11 99.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.068 0.461 . . . . 2.2000000000000002 110.22 175.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.5 m -66.3 -46.51 76.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.162 -0.472 . . . . 0.53000000000000003 111.153 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 531' ' ' GLU . 32.6 m -63.88 -39.45 85.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.801 0.297 . . . . 0.35999999999999999 111.801 -176.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.9 pt-20 -73.36 -33.64 65.18 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.332 -0.547 . . . . 0.81000000000000005 110.538 176.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 8.6 tmm_? -68.11 -43.02 79.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.813 -0.176 . . . . 1.3799999999999999 111.154 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 29.2 m -65.44 -39.5 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.218 0.532 . . . . 0.55000000000000004 110.026 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.508 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 93.5 m -64.35 -38.38 90.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.667 -0.697 . . . . 0.40000000000000002 110.151 175.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.4 tm? -62.03 -39.31 91.88 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.671 -0.492 . . . . 0.52000000000000002 109.671 175.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.3 mm100 -58.67 -37.77 76.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.219 -0.446 . . . . 1.55 110.843 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -67.41 -38.95 85.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 1.21 109.946 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 538' ' ' THR . 11.4 mm100 -65.91 -39.57 90.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.23 0.538 . . . . 1.98 109.652 175.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 10.0 tt -68.06 -33.53 74.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.655 . . . . 0.60999999999999999 109.993 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.708 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 19.7 tt0 -61.21 -46.65 89.56 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 109.416 -0.587 . . . . 1.6399999999999999 109.416 175.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -63.63 -33.33 75.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.884 -0.598 . . . . 2.2000000000000002 110.392 174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.61 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.8 t80 -63.57 -49.06 74.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.94 -0.573 . . . . 1.3799999999999999 110.79 177.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.9 pp -65.23 -37.58 87.7 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.753 0.311 . . . . 0.89000000000000001 110.599 175.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 551' ' ' LYS . 47.9 mt-10 -58.83 -36.42 74.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.056 0.455 . . . . 2.23 110.642 174.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 553' ' ' GLU . . . -67.92 -36.43 80.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 1.3500000000000001 110.76 176.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -64.64 -33.34 75.7 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.119 0.485 . . . . 2.3799999999999999 109.844 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 548' ' ' GLU . 75.4 mmtt -62.7 -46.26 88.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.568 -0.742 . . . . 2.3599999999999999 109.904 173.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.435 ' HA ' ' HG2' ' A' ' 555' ' ' LYS . 37.2 m -57.24 -42.03 80.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.13 -0.486 . . . . 2.23 110.795 175.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 549' ' ' ALA . 28.8 mm-40 -63.86 -47.51 80.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.135 0.493 . . . . 2.5499999999999998 110.577 177.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.09 -37.97 87.78 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.741 -0.663 . . . . 2.98 113.122 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 552' ' ' SER . 13.3 ptmm? -73.21 -21.67 60.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.847 0.323 . . . . 3.5800000000000001 111.224 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.46 ' HB3' HD23 ' A' ' 557' ' ' LEU . 10.6 t -72.79 -44.22 61.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.448 -0.342 . . . . 3.6699999999999999 110.35 -178.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 556' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.291 -0.385 . . . . 5.7400000000000002 110.311 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.648 0 N-CA-C 112.312 -0.315 . . . . 9.0999999999999996 112.312 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 48.8 m 69.39 -58.85 0.5 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.85 0.86 . . . . 7.4699999999999998 112.494 176.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.52 -32.88 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.989 0.423 . . . . 6.4000000000000004 110.962 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -54.96 -42.23 72.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.398 -0.819 . . . . 7.4000000000000004 111.409 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.73 -39.89 26.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.206 -0.452 . . . . 5.7000000000000002 110.603 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.528 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 33.3 m -67.69 -35.87 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.05 -0.523 . . . . 4.96 111.354 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.69 -36.84 84.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.72 -0.474 . . . . 5.7999999999999998 109.72 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 44.2 t -69.59 -47.05 64.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.913 -0.585 . . . . 4.5199999999999996 111.157 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.7 pp -66.99 -39.32 87.13 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.764 -0.375 . . . . 3.8599999999999999 111.508 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.559 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -64.47 -42.96 95.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.525 -0.307 . . . . 2.96 111.452 178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 24.5 p -68.04 -34.48 76.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 2.98 110.438 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.66 -45.68 93.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.223 -0.444 . . . . 3.8500000000000001 110.125 175.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 518' ' ' LEU . 81.0 t -58.57 -40.31 78.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 2.0699999999999998 110.174 174.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.4 -43.23 96.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.915 -0.584 . . . . 1.98 110.833 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -64.14 -41.25 97.27 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.624 0.25 . . . . 2.48 110.811 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 5.3 mp -61.36 -48.05 83.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.829 0.347 . . . . 1.6200000000000001 110.542 177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.92 -38.89 87.32 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.776 -0.647 . . . . 1.3999999999999999 110.785 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.42 -48.15 76.45 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.059 -0.519 . . . . 1.6000000000000001 110.592 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -62.3 -38.31 88.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 2.5600000000000001 110.885 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.4 mt -64.1 -46.35 84.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.68999999999999995 110.544 177.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -61.35 -49.56 76.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.901 -0.591 . . . . 2.7799999999999998 111.541 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.583 ' HA ' HG22 ' A' ' 534' ' ' VAL . 33.1 mt-10 -66.22 -36.71 83.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.239 -176.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.4 -41.08 98.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.127 0.489 . . . . 2.2000000000000002 110.358 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 25.2 m -72.57 -45.47 59.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.004 -0.543 . . . . 0.53000000000000003 111.347 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.583 HG22 ' HA ' ' A' ' 531' ' ' GLU . 28.9 m -62.59 -39.0 82.95 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 111.726 0.269 . . . . 0.35999999999999999 111.726 -177.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 8.5 pt-20 -72.47 -34.8 67.97 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.706 -0.398 . . . . 0.81000000000000005 110.3 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.5 tmm_? -68.71 -44.91 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 1.3799999999999999 111.178 -179.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 28.7 m -65.36 -39.11 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.043 0.449 . . . . 0.55000000000000004 110.295 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 76.8 m -65.94 -38.97 90.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.774 -0.648 . . . . 0.40000000000000002 110.829 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.2 tm? -62.07 -45.91 91.44 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.264 -0.643 . . . . 0.52000000000000002 109.264 176.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 84.6 mm-40 -63.83 -27.91 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 1.55 111.221 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -67.77 -45.53 74.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.297 -0.411 . . . . 1.21 110.132 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 538' ' ' THR . 15.1 mt-30 -63.98 -43.1 96.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.922 -0.581 . . . . 1.98 109.74 176.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.3 tt -64.54 -32.95 74.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.127 -0.942 . . . . 0.60999999999999999 110.192 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.528 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 8.0 tt0 -59.82 -46.75 88.26 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.997 0.427 . . . . 1.6399999999999999 110.002 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.78 -35.07 79.39 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.204 0.526 . . . . 2.2000000000000002 110.254 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.565 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.0 t80 -68.63 -47.04 67.65 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.593 -0.731 . . . . 1.3799999999999999 111.627 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.638 ' HA ' HE21 ' A' ' 550' ' ' GLN . 3.5 pp -63.92 -38.91 92.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.713 0.292 . . . . 0.89000000000000001 110.833 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -67.06 -34.73 78.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 2.23 110.784 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.03 89.38 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.767 -0.457 . . . . 1.3500000000000001 109.767 173.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.638 HE21 ' HA ' ' A' ' 547' ' ' LEU . 43.0 mt-30 -62.36 -44.09 97.28 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.302 -0.408 . . . . 2.3799999999999999 110.126 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 32.7 mmtp -56.4 -45.66 80.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.53 . . . . 2.3599999999999999 110.271 175.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.617 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 37.5 m -62.08 -34.01 75.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.82 -0.627 . . . . 2.23 111.37 -179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -79.59 -39.39 31.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.0 0.429 . . . . 2.5499999999999998 110.726 177.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -67.06 -40.08 93.06 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.806 -0.634 . . . . 2.98 112.557 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.617 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 63.2 pttt -68.61 -15.09 63.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.068 0.461 . . . . 3.5800000000000001 110.848 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.3 t -80.63 75.8 7.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.415 0.626 . . . . 3.6699999999999999 109.72 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--O 1.248 0.98 0 N-CA-C 108.489 -0.93 . . . . 5.7400000000000002 108.489 179.304 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 112.614 -0.195 . . . . 9.0999999999999996 112.614 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . 0.412 ' HB2' ' OG1' ' A' ' 514' ' ' THR . 24.2 m -114.51 132.01 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.324 -0.621 . . . . 7.4699999999999998 109.324 175.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 3.9 t -68.13 -33.12 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.168 -0.469 . . . . 6.4000000000000004 111.258 -175.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 513' ' ' GLU . 4.7 mp0 -60.43 -51.05 71.12 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.555 0.693 . . . . 7.4000000000000004 110.644 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . 0.513 ' O ' ' HG ' ' A' ' 518' ' ' LEU . 7.3 p -73.59 -43.61 59.3 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.741 -1.118 . . . . 5.7000000000000002 111.365 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.2 t -56.18 -50.33 71.52 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.378 -0.374 . . . . 4.96 111.37 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 48.6 mtt -62.98 -33.18 74.84 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.591 -0.444 . . . . 5.7999999999999998 110.952 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 51.0 m -69.4 -48.55 60.73 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.764 -0.198 . . . . 4.5199999999999996 111.203 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.566 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.4 pp -67.93 -41.85 81.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.871 -0.332 . . . . 3.8599999999999999 111.506 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.566 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.26 -43.18 99.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.301 -0.409 . . . . 2.96 111.477 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 24.7 p -66.58 -39.08 88.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.098 -0.241 . . . . 2.98 110.756 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . 0.411 ' O ' HD13 ' A' ' 525' ' ' LEU . 34.0 tt0 -62.46 -48.08 81.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.893 -0.41 . . . . 3.8500000000000001 109.893 176.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 518' ' ' LEU . 78.3 t -58.5 -38.66 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.932 -0.576 . . . . 2.0699999999999998 110.692 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . 0.579 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.2 t -60.56 -40.13 83.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 1.98 111.14 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.8 -38.47 83.36 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.796 -0.362 . . . . 2.48 110.723 175.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 11.0 mp -65.11 -48.47 73.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.756 0.312 . . . . 1.6200000000000001 110.685 177.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.579 HG22 ' HA ' ' A' ' 523' ' ' VAL . 9.3 t -66.25 -32.45 73.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.309 -0.405 . . . . 1.3999999999999999 110.628 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -60.11 -47.43 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.017 0.437 . . . . 1.6000000000000001 109.906 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -65.71 -41.96 91.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.787 -0.642 . . . . 2.5600000000000001 109.767 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.9 mt -61.15 -45.45 94.59 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.267 -0.424 . . . . 0.68999999999999995 111.258 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -62.37 -42.35 99.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.208 -0.451 . . . . 2.7799999999999998 111.22 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.54 ' HA ' HG22 ' A' ' 534' ' ' VAL . 47.0 mt-10 -65.02 -37.61 88.19 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.328 175.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -61.88 -37.66 85.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.105 -0.498 . . . . 2.2000000000000002 110.134 175.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.9 m -69.28 -48.36 61.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.019 -0.537 . . . . 0.53000000000000003 111.114 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 531' ' ' GLU . 27.5 m -64.58 -39.02 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 111.828 0.307 . . . . 0.35999999999999999 111.828 -176.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 11.1 pt-20 -71.73 -33.31 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.675 -0.41 . . . . 0.81000000000000005 110.295 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -67.51 -47.02 71.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.384 -0.371 . . . . 1.3799999999999999 111.07 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 24.6 m -63.35 -39.63 86.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.035 0.445 . . . . 0.55000000000000004 110.131 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.497 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 97.8 m -65.05 -38.41 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.565 -0.743 . . . . 0.40000000000000002 110.82 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.0 tm? -68.38 -44.18 75.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.621 -0.511 . . . . 0.52000000000000002 109.621 178.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -61.8 -32.66 72.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.155 -0.475 . . . . 1.55 110.742 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -63.3 -45.67 90.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.493 -0.558 . . . . 1.21 109.493 175.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 538' ' ' THR . 12.2 mm100 -63.94 -39.94 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.932 -0.577 . . . . 1.98 110.224 176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.578 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 10.0 tt -68.61 -35.89 77.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.846 -0.615 . . . . 0.60999999999999999 110.736 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.633 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 34.3 tt0 -63.0 -42.4 99.84 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.47 -0.567 . . . . 1.6399999999999999 109.47 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -68.66 -32.36 72.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.594 -0.73 . . . . 2.2000000000000002 110.265 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.578 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 0.8 OUTLIER -63.56 -47.31 82.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.167 -0.47 . . . . 1.3799999999999999 111.203 178.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.5 pp -64.48 -34.87 79.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.921 0.391 . . . . 0.89000000000000001 110.392 177.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 544' ' ' GLN . 96.5 mt-10 -66.75 -36.61 82.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 2.23 110.752 173.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.45 94.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 1.3500000000000001 110.232 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 546' ' ' PHE . 47.2 mt-30 -58.79 -35.78 73.39 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.159 -0.473 . . . . 2.3799999999999999 110.183 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 47.4 mmtm -68.18 -41.91 80.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 2.3599999999999999 110.28 176.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.415 ' HA ' ' CD ' ' A' ' 555' ' ' LYS . 7.7 t -64.14 -27.12 68.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.959 -0.564 . . . . 2.23 110.082 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -78.67 -42.85 27.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.025 -0.534 . . . . 2.5499999999999998 110.448 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -70.65 -32.16 67.46 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 115.66 -0.7 . . . . 2.98 113.151 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 552' ' ' SER . 22.9 ptmt -64.66 -21.26 66.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.274 0.559 . . . . 3.5800000000000001 110.521 176.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 12.3 t -97.52 9.0 43.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.648 -0.705 . . . . 3.6699999999999999 109.868 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 54.6 tp . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.687 -0.688 . . . . 5.7400000000000002 109.628 178.675 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.739 -0.544 . . . . 9.0999999999999996 111.739 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 22.7 p -91.21 31.48 1.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.746 0.273 . . . . 7.4699999999999998 111.348 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 79.3 t 70.99 -54.44 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 123.165 0.586 . . . . 6.4000000000000004 112.124 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -55.46 -41.46 72.94 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 122.836 0.454 . . . . 7.4000000000000004 112.092 -175.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -13.61 59.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.024 0.44 . . . . 5.7000000000000002 111.135 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.513 ' SG ' HD11 ' A' ' 518' ' ' LEU . 14.5 t -93.08 -34.98 13.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.744 -0.835 . . . . 4.96 108.744 175.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 48.3 ttp -55.63 -33.84 64.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.22 -0.9 . . . . 5.7999999999999998 110.778 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 61.9 p -69.73 -49.57 51.93 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.024 -0.534 . . . . 4.5199999999999996 111.2 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.595 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.9 pp -68.45 -39.81 81.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.779 0.324 . . . . 3.8599999999999999 111.728 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.595 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -61.06 -43.22 99.21 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.942 -0.572 . . . . 2.96 111.539 -178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 11.3 p -66.0 -36.1 82.36 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.256 -0.178 . . . . 2.98 110.824 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.65 -47.12 86.83 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.75 -0.38 . . . . 3.8500000000000001 110.084 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 518' ' ' LEU . 93.8 t -58.71 -38.71 73.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.936 0.398 . . . . 2.0699999999999998 110.398 176.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . 0.478 ' HA ' HG22 ' A' ' 526' ' ' THR . 2.4 t -59.88 -39.89 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.694 -0.685 . . . . 1.98 111.0 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -41.83 91.06 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.885 -0.326 . . . . 2.48 110.889 175.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.8 mp -64.68 -48.99 72.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.557 -0.292 . . . . 1.6200000000000001 111.145 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 523' ' ' VAL . 12.6 t -63.71 -33.87 76.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.435 -0.348 . . . . 1.3999999999999999 110.8 -175.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -68.59 -46.97 67.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.322 . . . . 1.6000000000000001 110.457 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -62.36 -42.15 99.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.203 -0.453 . . . . 2.5600000000000001 110.496 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.1 mt -60.82 -45.2 95.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.68999999999999995 110.26 177.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -59.36 -44.61 92.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.557 -0.747 . . . . 2.7799999999999998 110.451 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 535' ' ' GLU . 33.2 mt-10 -62.22 -42.97 99.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.506 -0.316 . . . . 1.0 111.031 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -61.98 -34.2 75.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.781 0.324 . . . . 2.2000000000000002 110.644 176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.464 HG23 ' NH2' ' A' ' 536' ' ' ARG . 29.7 m -70.54 -48.25 56.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.352 -0.385 . . . . 0.53000000000000003 111.033 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.415 HG22 ' HA ' ' A' ' 531' ' ' GLU . 27.1 m -64.52 -39.52 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 111.916 0.339 . . . . 0.35999999999999999 111.916 -175.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 11.3 pt-20 -73.48 -32.45 64.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.921 -0.487 . . . . 0.81000000000000005 110.73 176.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.464 ' NH2' HG23 ' A' ' 533' ' ' THR . 5.8 tmm_? -68.44 -45.35 72.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 1.3799999999999999 111.15 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.3 m -62.64 -39.72 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.128 0.489 . . . . 0.55000000000000004 109.978 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.483 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 86.6 m -63.59 -37.49 87.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.62 -0.718 . . . . 0.40000000000000002 110.683 175.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.458 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.8 tm? -65.14 -44.49 88.48 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.492 -0.559 . . . . 0.52000000000000002 109.492 176.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . 0.8 ' HA ' HE21 ' A' ' 540' ' ' GLN . 0.0 OUTLIER -63.76 -32.93 74.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.169 -0.469 . . . . 1.55 110.514 176.349 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.93 -44.41 92.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.21 110.098 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 538' ' ' THR . 46.9 mt-30 -67.41 -38.12 84.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.933 -0.576 . . . . 1.98 110.277 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.573 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.0 tt -67.51 -32.95 74.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.92 -0.582 . . . . 0.60999999999999999 110.195 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.429 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 49.1 tt0 -60.88 -45.19 95.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.192 0.52 . . . . 1.6399999999999999 109.649 174.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -63.78 -38.0 89.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.743 . . . . 2.2000000000000002 110.203 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.5 t80 -63.59 -51.49 65.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.862 -0.608 . . . . 1.3799999999999999 111.22 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 551' ' ' LYS . 3.4 pp -64.9 -40.68 95.47 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.595 0.236 . . . . 0.89000000000000001 110.837 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -63.4 -37.35 86.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.363 -0.381 . . . . 2.23 111.068 177.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.84 -44.86 96.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.01 -0.367 . . . . 1.3500000000000001 110.01 174.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.506 ' HG2' ' O ' ' A' ' 546' ' ' PHE . 12.9 mm100 -61.71 -39.53 91.84 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.95 -0.568 . . . . 2.3799999999999999 110.445 177.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 34.5 mmtp -59.75 -56.85 16.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.968 -0.56 . . . . 2.3599999999999999 110.367 176.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 15.0 m -59.33 -45.18 92.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.249 -0.432 . . . . 2.23 111.836 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.13 -39.08 66.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.835 0.35 . . . . 2.5499999999999998 110.987 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -72.69 -35.0 59.2 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.932 -0.652 . . . . 2.98 112.603 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -79.12 -9.26 59.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.077 0.465 . . . . 3.5800000000000001 110.611 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 22.9 t -78.92 83.41 5.03 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.098 -0.501 . . . . 3.6699999999999999 109.842 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 557' ' ' LEU . 2.0 tm? . . . . . 0 C--O 1.246 0.91 0 N-CA-C 108.886 -0.783 . . . . 5.7400000000000002 108.886 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.012 -0.435 . . . . 9.0999999999999996 112.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 18.7 m -119.44 -53.96 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.8 0.3 . . . . 7.4699999999999998 111.116 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 10.2 t -65.96 -21.19 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.046 0.45 . . . . 6.4000000000000004 111.4 -175.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -58.09 -28.22 64.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 7.4000000000000004 110.949 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 36.2 p -116.61 174.06 6.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.991 -0.55 . . . . 5.7000000000000002 109.911 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.463 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 48.3 m 72.18 -38.86 0.43 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.164 0.586 . . . . 4.96 111.555 177.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 26.7 ttt -61.21 -33.32 73.29 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.472 -0.566 . . . . 5.7999999999999998 109.472 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 5.6 t -64.96 -49.39 70.52 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.694 -0.685 . . . . 4.5199999999999996 110.852 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.6 pp -67.56 -36.89 81.82 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.056 0.455 . . . . 3.8599999999999999 110.851 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.503 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -62.96 -37.51 87.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.78 -0.645 . . . . 2.96 110.658 175.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 11.4 t -63.25 -35.92 81.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.041 0.448 . . . . 2.98 109.83 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . 0.435 ' O ' HD13 ' A' ' 525' ' ' LEU . 24.5 mt-30 -61.3 -46.35 90.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.963 -0.562 . . . . 3.8500000000000001 110.036 176.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.9 -40.46 89.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.827 -0.624 . . . . 2.0699999999999998 110.237 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . 0.554 ' HA ' HG22 ' A' ' 526' ' ' THR . 3.4 t -61.66 -40.04 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 115.676 -0.693 . . . . 1.98 110.992 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -35.67 81.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.714 0.292 . . . . 2.48 110.79 175.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 521' ' ' GLN . 5.8 mp -65.67 -48.68 71.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.808 0.337 . . . . 1.6200000000000001 110.521 177.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.554 HG22 ' HA ' ' A' ' 523' ' ' VAL . 13.6 t -66.65 -33.17 75.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 1.3999999999999999 110.042 179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 17.8 tppt? -63.65 -47.79 79.86 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.573 -0.285 . . . . 1.6000000000000001 110.596 177.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -60.51 -43.97 96.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 2.5600000000000001 109.994 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.17 -45.86 86.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 0.68999999999999995 110.619 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -57.75 -49.62 75.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.675 -0.693 . . . . 2.7799999999999998 111.619 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.579 ' HA ' HG22 ' A' ' 534' ' ' VAL . 22.6 mt-10 -67.92 -36.17 79.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.898 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -68.19 -32.76 73.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.836 0.351 . . . . 2.2000000000000002 110.502 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 32.8 m -73.21 -44.67 59.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.498 -0.319 . . . . 0.53000000000000003 111.153 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.579 HG22 ' HA ' ' A' ' 531' ' ' GLU . 26.9 m -62.85 -38.38 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 121.153 -0.219 . . . . 0.35999999999999999 111.35 -178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 10.3 pt-20 -71.61 -36.29 70.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.718 -0.393 . . . . 0.81000000000000005 110.309 175.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -66.87 -43.89 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 1.3799999999999999 111.009 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.04 -38.91 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.991 0.424 . . . . 0.55000000000000004 110.124 176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.456 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 75.2 m -64.21 -37.82 88.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.756 -0.656 . . . . 0.40000000000000002 111.06 176.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.47 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.7 tm? -62.78 -44.23 96.74 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.239 -0.652 . . . . 0.52000000000000002 109.239 175.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -64.48 -31.59 72.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 1.55 110.583 175.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 544' ' ' GLN . 8.8 t30 -66.78 -39.98 88.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.872 -0.603 . . . . 1.21 109.981 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 538' ' ' THR . 24.6 mt-30 -66.51 -35.56 80.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.074 -0.512 . . . . 1.98 109.8 174.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 10.0 tt -66.39 -33.85 76.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.60999999999999999 110.065 175.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.578 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 6.0 tp-100 -60.86 -46.08 91.97 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.207 -0.664 . . . . 1.6399999999999999 109.207 172.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' ' 542' ' ' GLN . 47.9 mt-30 -61.19 -36.37 79.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.758 -0.655 . . . . 2.2000000000000002 110.158 175.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.579 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.0 OUTLIER -64.01 -50.13 69.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.567 -0.742 . . . . 1.3799999999999999 111.383 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.884 ' HA ' HE21 ' A' ' 550' ' ' GLN . 4.0 pp -64.43 -37.48 87.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.763 0.316 . . . . 0.89000000000000001 110.525 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.38 -35.25 80.38 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.096 -0.502 . . . . 2.23 111.023 175.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -62.52 -35.93 80.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.716 0.293 . . . . 1.3500000000000001 110.516 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.884 HE21 ' HA ' ' A' ' 547' ' ' LEU . 46.9 mt-30 -64.39 -42.45 96.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.195 0.521 . . . . 2.3799999999999999 109.876 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -60.57 -39.37 87.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.736 -0.666 . . . . 2.3599999999999999 110.217 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 556' ' ' SER . 20.0 m -61.65 -35.74 78.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.519 -0.764 . . . . 2.23 110.798 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -70.8 -39.3 73.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.045 0.45 . . . . 2.5499999999999998 110.56 175.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -68.18 -46.19 66.47 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.942 -0.572 . . . . 2.98 112.719 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.402 ' HG2' ' HA ' ' A' ' 552' ' ' SER . 20.8 ptmt -72.03 -18.13 61.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 3.5800000000000001 111.414 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.514 ' HB2' ' O ' ' A' ' 552' ' ' SER . 9.5 t -71.15 155.04 41.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.281 -0.418 . . . . 3.6699999999999999 110.806 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 557' ' ' LEU . 6.3 mp . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.638 -0.696 . . . . 5.7400000000000002 110.266 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.522 0 N-CA-C 112.295 -0.322 . . . . 9.0999999999999996 112.295 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 11.7 p -60.76 -50.72 72.33 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.314 0.487 . . . . 7.4699999999999998 112.314 -175.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 4.7 t -62.15 -34.44 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 6.4000000000000004 110.928 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.44 -48.19 82.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.246 -0.434 . . . . 7.4000000000000004 110.761 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 3.3 p -72.85 -33.65 66.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.46 -0.336 . . . . 5.7000000000000002 111.233 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 62.1 m -66.11 -36.73 83.95 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.764 0.316 . . . . 4.96 110.463 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 28.1 ttt -63.68 -38.82 92.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.95 0.405 . . . . 5.7999999999999998 110.279 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 40.3 t -69.09 -34.45 75.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.238 0.542 . . . . 4.5199999999999996 110.048 176.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.468 HD13 ' C ' ' A' ' 518' ' ' LEU . 0.4 OUTLIER -65.76 -45.34 82.92 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.694 -0.685 . . . . 3.8599999999999999 109.808 176.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.419 ' N ' HD13 ' A' ' 518' ' ' LEU . . . -66.79 -43.02 85.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.113 -0.494 . . . . 2.96 111.236 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 44.5 p -65.0 -35.28 80.69 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.955 -0.387 . . . . 2.98 109.955 177.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . 0.42 ' O ' HD13 ' A' ' 525' ' ' LEU . 34.8 tt0 -60.83 -46.93 88.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 3.8500000000000001 109.815 175.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 518' ' ' LEU . 93.4 t -58.53 -39.73 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.155 0.502 . . . . 2.0699999999999998 110.082 175.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.03 -40.32 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.896 -0.593 . . . . 1.98 110.614 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -62.84 -45.08 94.29 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.808 0.337 . . . . 2.48 111.021 174.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.5 mp -60.89 -42.61 98.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 1.6200000000000001 110.38 179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' ' 529' ' ' LEU . 1.0 OUTLIER -71.6 -35.07 70.39 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.886 -0.597 . . . . 1.3999999999999999 110.627 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 15.0 tppt? -61.18 -45.96 92.46 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.606 -0.516 . . . . 1.6000000000000001 109.606 176.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -61.04 -41.81 97.29 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.424 -0.807 . . . . 2.5600000000000001 110.448 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 94.7 mt -60.53 -46.32 90.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.68999999999999995 110.741 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.21 -49.46 75.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.03 -0.532 . . . . 2.7799999999999998 111.209 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 527' ' ' LYS . 33.3 mt-10 -64.82 -39.25 93.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.873 -176.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -63.91 -41.22 97.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.208 -0.451 . . . . 2.2000000000000002 110.466 176.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 45.0 m -70.3 -45.71 65.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.439 -0.346 . . . . 0.53000000000000003 111.281 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 531' ' ' GLU . 34.9 m -63.04 -40.18 88.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 121.025 -0.27 . . . . 0.35999999999999999 111.67 -175.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 4.6 pt-20 -72.61 -36.77 68.16 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 120.388 -0.525 . . . . 0.81000000000000005 110.373 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 535' ' ' GLU . 7.2 tmm_? -66.63 -44.28 82.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 1.3799999999999999 111.365 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.98 -39.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.804 0.335 . . . . 0.55000000000000004 110.298 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 30.8 m -63.92 -37.8 88.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 0.40000000000000002 110.741 175.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.462 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.8 tm? -63.02 -44.11 96.87 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.6 -0.519 . . . . 0.52000000000000002 109.6 177.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -64.75 -34.61 78.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.05 -0.523 . . . . 1.55 110.767 175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -63.85 -44.32 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.626 -0.509 . . . . 1.21 109.626 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 538' ' ' THR . 15.4 mm100 -60.62 -44.0 96.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.783 -0.644 . . . . 1.98 110.077 174.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.561 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 7.3 tt -68.0 -33.49 74.71 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.585 -0.734 . . . . 0.60999999999999999 110.871 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.509 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 44.4 tt0 -59.85 -47.47 85.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.019 0.437 . . . . 1.6399999999999999 110.007 176.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.36 -33.52 76.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.697 -0.683 . . . . 2.2000000000000002 110.3 176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.561 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.4 t80 -67.64 -49.2 64.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.726 -0.67 . . . . 1.3799999999999999 111.293 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.5 pp -64.83 -35.44 81.11 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.916 0.389 . . . . 0.89000000000000001 110.894 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -71.12 -34.2 70.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.152 -0.476 . . . . 2.23 111.016 176.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.32 71.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.923 0.392 . . . . 1.3500000000000001 110.235 172.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 546' ' ' PHE . 17.8 mt-30 -64.37 -38.48 91.19 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.077 -0.511 . . . . 2.3799999999999999 109.888 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -58.21 -47.2 84.23 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.993 -0.549 . . . . 2.3599999999999999 109.652 175.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 556' ' ' SER . 16.0 m -59.48 -33.47 71.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.636 -0.711 . . . . 2.23 111.029 178.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.88 -47.56 58.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.148 0.499 . . . . 2.5499999999999998 110.668 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.78 -40.49 95.68 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.725 -0.67 . . . . 2.98 112.623 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.482 ' HG2' ' HA ' ' A' ' 552' ' ' SER . 13.9 ptmm? -76.58 -14.71 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.525 0.202 . . . . 3.5800000000000001 111.248 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.515 ' HB2' ' O ' ' A' ' 552' ' ' SER . 19.7 t -72.95 84.67 1.26 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.158 0.504 . . . . 3.6699999999999999 110.702 -177.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.244 0.809 0 N-CA-C 108.793 -0.817 . . . . 5.7400000000000002 108.793 175.235 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.518 -0.233 . . . . 9.0999999999999996 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 10.1 m -109.31 26.06 11.08 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.914 0.338 . . . . 7.4699999999999998 111.914 -175.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.49 -52.32 47.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.843 -0.343 . . . . 6.4000000000000004 110.108 177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -60.1 -29.11 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 7.4000000000000004 110.894 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 14.9 m -63.55 -56.25 17.43 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 116.202 -0.454 . . . . 5.7000000000000002 110.732 178.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.508 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 39.0 m -67.24 -35.28 79.22 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.969 0.414 . . . . 4.96 110.601 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -61.0 -41.17 96.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.86 -0.422 . . . . 5.7999999999999998 109.86 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . 0.605 ' O ' ' HG2' ' A' ' 521' ' ' GLN . 22.9 t -67.26 -47.38 70.88 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.97 -0.559 . . . . 4.5199999999999996 111.023 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.4 pp -64.21 -39.21 93.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.317 -0.553 . . . . 3.8599999999999999 111.482 -177.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.53 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -66.36 -43.44 85.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 2.96 111.16 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 27.2 p -69.85 -35.68 74.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.658 -0.247 . . . . 2.98 110.752 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 517' ' ' SER . 25.8 mm-40 -62.65 -44.08 97.17 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 120.888 -0.325 . . . . 3.8500000000000001 110.237 175.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 518' ' ' LEU . 65.4 t -58.39 -40.31 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 2.0699999999999998 110.117 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.59 -40.11 85.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.045 -0.525 . . . . 1.98 110.806 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -65.54 -45.25 84.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.465 -0.334 . . . . 2.48 110.763 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 9.5 mp -61.53 -49.13 77.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.414 -0.357 . . . . 1.6200000000000001 110.995 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 5.7 t -64.42 -35.73 81.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.401 -0.363 . . . . 1.3999999999999999 110.572 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -68.41 -48.26 65.12 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.338 -0.392 . . . . 1.6000000000000001 110.287 177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -61.52 -37.06 82.34 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.188 -0.46 . . . . 2.5600000000000001 110.956 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.6 mt -60.64 -46.8 88.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.92 0.391 . . . . 0.68999999999999995 110.762 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -66.86 -48.08 69.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.918 -0.583 . . . . 2.7799999999999998 111.261 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.446 ' HA ' HG22 ' A' ' 534' ' ' VAL . 3.7 mt-10 -67.54 -35.6 79.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.747 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -61.27 -39.39 90.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.328 -0.396 . . . . 2.2000000000000002 110.083 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 537' ' ' VAL . 50.2 m -67.79 -43.91 78.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.36 -0.382 . . . . 0.53000000000000003 111.677 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 531' ' ' GLU . 26.8 m -65.41 -40.65 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 120.571 -0.452 . . . . 0.35999999999999999 111.635 -176.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 7.4 pt-20 -72.85 -32.96 65.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.538 -0.465 . . . . 0.81000000000000005 110.282 175.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 0.1 OUTLIER -69.82 -41.92 74.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.3799999999999999 111.724 -179.184 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 533' ' ' THR . 33.1 m -65.37 -39.84 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.264 0.554 . . . . 0.55000000000000004 109.85 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 542' ' ' GLN . 95.0 m -61.87 -38.68 89.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.517 -0.765 . . . . 0.40000000000000002 110.294 174.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.2 tm? -66.84 -44.53 80.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.733 -0.667 . . . . 0.52000000000000002 109.776 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 16.0 mm100 -58.37 -33.36 69.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 1.55 110.971 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -63.24 -44.15 96.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.17 0.509 . . . . 1.21 109.937 175.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 538' ' ' THR . 20.3 mt-30 -66.67 -36.38 82.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.869 -0.605 . . . . 1.98 110.115 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 9.0 tt -67.73 -32.87 73.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.60999999999999999 110.123 178.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.547 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 4.3 tt0 -59.77 -45.52 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.098 0.475 . . . . 1.6399999999999999 109.737 173.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -64.64 -33.63 76.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.384 0.611 . . . . 2.2000000000000002 110.027 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.61 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 1.9 t80 -67.46 -48.26 67.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.22 -0.9 . . . . 1.3799999999999999 111.633 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 4.0 pp -64.71 -38.66 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.89000000000000001 110.927 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.69 -35.69 81.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.397 -0.365 . . . . 2.23 110.546 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.42 88.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.475 -0.329 . . . . 1.3500000000000001 110.714 175.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -57.31 -31.73 65.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.275 0.559 . . . . 2.3799999999999999 110.74 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -70.91 -57.64 4.39 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.5 -0.773 . . . . 2.3599999999999999 110.715 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 15.6 m -65.58 -33.69 76.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.054 0.391 . . . . 2.23 112.054 -176.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -88.45 -25.58 22.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 2.5499999999999998 110.951 -178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -82.5 -34.02 23.77 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.924 -0.655 . . . . 2.98 112.411 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -63.68 -16.97 62.44 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.96 0.409 . . . . 3.5800000000000001 111.355 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.2 t -98.83 94.84 6.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.23 0.538 . . . . 3.6699999999999999 109.669 176.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 557' ' ' LEU . 2.9 pp . . . . . 0 C--O 1.246 0.879 0 CA-C-N 115.676 -0.693 . . . . 5.7400000000000002 110.655 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.821 -0.512 . . . . 9.0999999999999996 111.821 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 9.2 t -83.73 153.9 23.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 7.4699999999999998 109.933 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 96.9 t -69.67 -24.27 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.579 -0.737 . . . . 6.4000000000000004 112.18 -173.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -56.83 -33.91 67.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.812 0.671 . . . . 7.4000000000000004 112.812 -175.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 24.5 p -76.53 -48.99 17.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.899 0.38 . . . . 5.7000000000000002 110.997 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . . . . . . . . . 42.9 t -60.53 -38.78 85.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 4.96 110.62 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 52.1 ttm -61.41 -34.82 76.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.486 -0.324 . . . . 5.7999999999999998 110.776 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.8 t -70.18 -48.01 59.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.72 0.295 . . . . 4.5199999999999996 110.454 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.5 pp -67.44 -42.23 83.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.786 -0.365 . . . . 3.8599999999999999 111.599 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.526 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -63.97 -40.83 97.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.46 -0.336 . . . . 2.96 111.63 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 58.2 p -66.9 -36.1 81.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 2.98 110.11 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -62.07 -43.58 98.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 3.8500000000000001 109.793 175.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 518' ' ' LEU . 99.6 t -61.44 -40.64 87.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.69 -0.686 . . . . 2.0699999999999998 110.218 174.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.54 -42.51 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.12 -0.491 . . . . 1.98 111.249 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.72 -43.84 98.07 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.938 0.399 . . . . 2.48 110.695 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.517 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 5.3 mp -65.0 -45.27 86.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.922 -0.581 . . . . 1.6200000000000001 110.83 178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.74 -33.72 76.28 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.047 -0.524 . . . . 1.3999999999999999 110.279 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 531' ' ' GLU . 15.9 tppt? -59.61 -48.81 80.21 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.83 -0.623 . . . . 1.6000000000000001 109.923 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -68.61 -41.6 79.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.804 -0.634 . . . . 2.5600000000000001 110.984 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 91.9 mt -60.74 -45.88 92.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.68999999999999995 111.05 -179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -61.3 -44.33 97.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.926 -0.579 . . . . 2.7799999999999998 110.723 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.542 ' HA ' HG22 ' A' ' 534' ' ' VAL . 45.3 mt-10 -65.22 -38.44 90.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.456 -0.338 . . . . 1.0 111.135 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.93 -37.01 86.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.183 0.516 . . . . 2.2000000000000002 110.145 176.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 27.1 m -70.59 -46.96 62.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.787 -0.642 . . . . 0.53000000000000003 111.094 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 531' ' ' GLU . 28.9 m -63.25 -39.28 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 111.732 0.271 . . . . 0.35999999999999999 111.732 -176.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 12.5 pt-20 -70.42 -34.07 72.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.81000000000000005 110.45 177.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -71.69 -46.14 59.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.22 -0.445 . . . . 1.3799999999999999 111.119 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 534' ' ' VAL . 32.1 m -64.29 -39.23 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.928 -0.397 . . . . 0.55000000000000004 109.928 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 542' ' ' GLN . 48.2 m -60.88 -42.57 98.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.675 -0.693 . . . . 0.40000000000000002 110.821 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.454 HD13 ' C ' ' A' ' 539' ' ' LEU . 2.2 tm? -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.504 -0.554 . . . . 0.52000000000000002 109.504 178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -61.82 -33.75 74.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.172 -0.467 . . . . 1.55 110.669 175.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.6 -42.31 91.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.034 -0.53 . . . . 1.21 109.968 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 538' ' ' THR . 29.9 mm-40 -67.94 -37.99 82.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 1.98 109.976 176.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.618 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.3 tt -67.65 -33.02 74.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.692 -0.685 . . . . 0.60999999999999999 110.462 177.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.571 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 32.2 tt0 -62.16 -46.78 87.44 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.094 0.473 . . . . 1.6399999999999999 109.784 175.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' A' ' 545' ' ' GLN . 0.5 OUTLIER -63.54 -35.05 79.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.881 -0.6 . . . . 2.2000000000000002 109.507 175.326 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.618 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 2.1 t80 -65.04 -49.43 70.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.742 -0.663 . . . . 1.3799999999999999 111.398 179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 544' ' ' GLN . 3.4 pp -64.48 -37.78 88.72 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.684 0.278 . . . . 0.89000000000000001 110.749 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.09 -36.54 83.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 2.23 110.796 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 553' ' ' GLU . . . -62.98 -40.49 97.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.415 -0.357 . . . . 1.3500000000000001 110.423 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -57.39 -40.2 77.71 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.148 0.499 . . . . 2.3799999999999999 110.393 174.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -62.9 -48.45 78.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.185 -0.916 . . . . 2.3599999999999999 110.221 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.802 ' HA ' ' HE2' ' A' ' 555' ' ' LYS . 20.2 m -58.88 -49.06 79.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.178 -0.464 . . . . 2.23 110.837 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 549' ' ' ALA . 7.5 mm-40 -61.06 -39.88 91.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.897 0.379 . . . . 2.5499999999999998 110.894 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.55 -39.63 34.58 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.078 -0.582 . . . . 2.98 112.875 -178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' ' 552' ' ' SER . 58.1 pttt -73.55 -19.79 60.81 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.698 -0.295 . . . . 3.5800000000000001 110.679 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . . . . . . . . . 23.3 t -74.47 83.55 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.25 0.548 . . . . 3.6699999999999999 110.281 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . . . . . . . . . 40.8 tp . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.159 -0.928 . . . . 5.7400000000000002 108.791 176.741 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.504 0 N-CA-C 111.687 -0.565 . . . . 9.0999999999999996 111.687 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' SER . . . . . . . . . . . . . 43.7 m 60.24 40.26 18.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.441 0.638 . . . . 7.4699999999999998 110.968 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' VAL . . . . . . . . . . . . . 77.3 t -98.79 -31.4 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 6.4000000000000004 109.694 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -59.3 -32.82 70.4 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.492 -0.776 . . . . 7.4000000000000004 111.046 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 13.7 p -65.15 -49.41 69.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.36 -0.382 . . . . 5.7000000000000002 111.45 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' CYS . . . . . 0.456 ' HA ' ' HG ' ' A' ' 518' ' ' LEU . 4.4 p -77.38 -28.3 52.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 4.96 111.211 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -63.89 -39.2 93.64 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.935 -0.395 . . . . 5.7999999999999998 109.935 173.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 20.6 t -66.99 -45.01 78.95 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.889 -0.596 . . . . 4.5199999999999996 111.524 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 519' ' ' ALA . 2.9 pp -66.91 -38.24 85.85 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.67 -0.412 . . . . 3.8599999999999999 111.441 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' ALA . . . . . 0.568 ' N ' HD12 ' A' ' 518' ' ' LEU . . . -64.9 -43.42 92.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.203 -0.453 . . . . 2.96 111.585 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' SER . . . . . . . . . . . . . 35.4 p -66.31 -35.33 80.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 2.98 110.299 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -61.53 -45.65 93.27 Favored 'General case' 0 C--O 1.227 -0.131 0 N-CA-C 110.041 -0.355 . . . . 3.8500000000000001 110.041 175.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 518' ' ' LEU . 98.9 t -58.56 -39.37 75.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.482 . . . . 2.0699999999999998 110.288 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.48 -39.59 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.728 -0.669 . . . . 1.98 110.395 176.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -66.45 -42.52 87.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 2.48 111.154 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 529' ' ' LEU . 10.6 mp -61.66 -36.73 81.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.873 0.368 . . . . 1.6200000000000001 110.194 176.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' THR . . . . . 0.409 ' HA ' HD12 ' A' ' 529' ' ' LEU . 0.9 OUTLIER -65.95 -35.7 81.32 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.893 -0.594 . . . . 1.3999999999999999 110.22 177.422 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -65.43 -43.47 90.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 1.6000000000000001 109.996 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -62.41 -41.04 98.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.965 -0.561 . . . . 2.5600000000000001 110.583 178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 525' ' ' LEU . 95.2 mt -61.16 -44.6 97.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.081 0.467 . . . . 0.68999999999999995 110.361 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -57.76 -48.55 79.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.496 -0.774 . . . . 2.7799999999999998 110.603 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 535' ' ' GLU . 44.9 mt-10 -64.43 -40.63 96.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.138 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -61.61 -39.67 92.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.091 -0.504 . . . . 2.2000000000000002 110.342 177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 39.3 m -69.86 -44.87 68.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.956 -0.565 . . . . 0.53000000000000003 111.622 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.41 HG22 ' HA ' ' A' ' 531' ' ' GLU . 26.9 m -64.13 -40.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 120.858 -0.337 . . . . 0.35999999999999999 111.623 -176.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 531' ' ' GLU . 7.2 pt-20 -72.91 -32.88 65.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.951 -0.468 . . . . 0.81000000000000005 110.379 175.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 540' ' ' GLN . 9.3 tmm_? -67.53 -45.83 74.58 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.617 -0.265 . . . . 1.3799999999999999 111.015 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' VAL . . . . . . . . . . . . . 32.3 m -62.31 -39.74 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.141 0.496 . . . . 0.55000000000000004 110.01 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' THR . . . . . . . . . . . . . 89.6 m -63.87 -38.58 91.62 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.738 -0.665 . . . . 0.40000000000000002 110.472 175.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' LEU . . . . . 0.463 HD13 ' C ' ' A' ' 539' ' ' LEU . 1.6 tm? -66.8 -42.4 86.02 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.886 -0.597 . . . . 0.52000000000000002 109.8 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 536' ' ' ARG . 14.6 mm100 -61.9 -34.15 75.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 1.55 110.744 176.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -64.79 -42.01 95.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.054 -0.521 . . . . 1.21 109.628 175.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.462 ' HA ' HE21 ' A' ' 545' ' ' GLN . 25.1 mt-30 -66.94 -38.71 86.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 1.98 110.168 175.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' LEU . . . . . 0.666 ' HA ' ' HB3' ' A' ' 546' ' ' PHE . 8.3 tt -67.12 -32.33 73.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.60999999999999999 110.059 178.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.522 ' O ' ' HG ' ' A' ' 547' ' ' LEU . 28.0 tt0 -61.14 -44.71 96.89 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.471 -0.566 . . . . 1.6399999999999999 109.471 174.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 542' ' ' GLN . 48.6 mt-30 -64.98 -34.25 77.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.061 -0.518 . . . . 2.2000000000000002 110.231 174.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' PHE . . . . . 0.666 ' HB3' ' HA ' ' A' ' 543' ' ' LEU . 3.1 t80 -66.47 -49.38 66.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.361 -0.836 . . . . 1.3799999999999999 111.303 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.853 ' HA ' HE21 ' A' ' 550' ' ' GLN . 3.6 pp -64.2 -39.68 94.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.578 0.228 . . . . 0.89000000000000001 110.543 177.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -61.96 -35.96 80.01 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.007 0.432 . . . . 2.23 110.954 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' ALA . . . . . 0.644 ' O ' ' HG2' ' A' ' 553' ' ' GLU . . . -62.23 -47.28 85.09 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.234 -0.439 . . . . 1.3500000000000001 110.0 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' GLN . . . . . 0.853 HE21 ' HA ' ' A' ' 547' ' ' LEU . 42.1 mt-30 -57.61 -39.32 76.59 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.357 0.411 . . . . 2.3799999999999999 110.431 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 547' ' ' LEU . 75.0 mmtt -55.7 -62.18 1.86 Allowed 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.239 -0.652 . . . . 2.3599999999999999 109.239 173.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 19.3 m -49.81 -37.48 30.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.535 -0.757 . . . . 2.23 112.248 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 549' ' ' ALA . 13.0 mm-40 -63.11 -66.23 0.57 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.013 0.435 . . . . 2.5499999999999998 111.096 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.99 76.19 Favored Glycine 0 C--N 1.331 0.251 0 CA-C-N 115.774 -0.648 . . . . 2.98 112.645 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -66.49 -36.04 81.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.883 0.373 . . . . 3.5800000000000001 111.273 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' SER . . . . . 0.562 ' HB3' HD23 ' A' ' 557' ' ' LEU . 8.5 t -80.39 -48.25 13.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.906 0.384 . . . . 3.6699999999999999 110.592 -176.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 556' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.177 0 CA-C-O 119.2 -0.429 . . . . 5.7400000000000002 110.461 179.598 . . . . . . . . 2 2 . 1 stop_ save_