data_2few_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 2few _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 full ' A' A ' 4' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 4' ' ' LEU . 15.0 tp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 118.919 -0.562 . . . . 0.14 111.552 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 1.071 ' CZ ' ' HD2' ' A' ' 147' ' ' ARG . 41.8 p90 -136.67 144.55 44.03 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 117.03 -1.868 . . . . 0.12 112.403 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -83.6 143.17 30.31 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 113.996 -1.457 . . . . 0.15 107.67 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.863 ' HA ' HD22 ' A' ' 11' ' ' ASN . 14.2 tp -138.27 126.81 23.39 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.434 -2.062 . . . . 0.13 105.434 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' O ' ' OD1' ' A' ' 11' ' ' ASN . . . -154.34 -169.55 19.23 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 107.01 -2.436 . . . . 0.13 107.01 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.69 77.36 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.289 0.636 . . . . 0.15 112.572 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -64.72 -15.26 61.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 116.622 -1.656 . . . . 0.13 114.357 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.863 HD22 ' HA ' ' A' ' 7' ' ' LEU . 2.9 p-10 -126.35 25.69 6.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 116.863 -1.935 . . . . 0.1 113.087 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.4 mt -117.46 123.8 72.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 124.15 0.98 . . . . 0.11 108.743 174.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -126.93 104.92 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.654 -0.654 . . . . 0.11 110.328 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 37.9 mt -98.07 159.38 14.98 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 114.67 1.359 . . . . 0.12 114.67 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.35 38.14 85.1 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 116.182 1.233 . . . . 0.12 116.182 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -82.03 169.98 16.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.089 0.947 . . . . 0.15 109.874 177.101 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -140.86 140.41 34.6 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.55 -1.205 . . . . 0.16 108.48 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.6 133.4 11.25 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.574 -0.899 . . . . 0.12 108.574 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.8 -26.47 49.64 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 118.934 -1.106 . . . . 0.16 111.143 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -132.64 158.6 41.85 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 121.217 -0.927 . . . . 0.16 112.769 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.626 ' HE3' ' OE1' ' A' ' 50' ' ' GLU . 28.8 pttt -65.9 -32.77 74.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 118.848 -1.141 . . . . 0.13 109.85 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -61.19 -41.6 97.09 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 119.25 0.932 . . . . 0.14 111.098 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.79 -42.22 99.61 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.481 1.037 . . . . 0.16 111.972 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.05 97.72 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.896 0.855 . . . . 0.1 110.812 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 25' ' ' ILE . 84.0 mt -63.43 -42.39 96.11 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-O 122.561 1.172 . . . . 0.1 111.398 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -62.04 -37.6 85.53 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 120.702 -1.249 . . . . 0.16 110.785 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.85 -49.32 66.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.704 0.628 . . . . 0.12 109.471 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.99 78.03 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.837 0.711 . . . . 0.07 109.81 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.26 -43.84 95.3 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 125.226 1.393 . . . . 0.08 112.689 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -61.28 -38.61 87.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 120.7 -1.47 . . . . 0.13 111.43 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -73.11 -34.81 66.38 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 123.896 0.878 . . . . 0.12 112.241 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.11 -38.44 91.06 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.199 -0.938 . . . . 0.07 109.411 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.22 -47.19 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 O-C-N 119.38 -2.075 . . . . 0.11 108.417 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.21 -39.9 73.21 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.161 . . . . 0.15 113.917 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.96 8.75 71.81 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 119.882 1.219 . . . . 0.1 115.286 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.1 20.81 80.08 Favored Glycine 0 N--CA 1.448 -0.544 0 O-C-N 120.599 -1.53 . . . . 0.1 114.256 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' HD1' ' HG3' ' A' ' 76' ' ' LYS . 81.5 m-85 -79.01 -37.14 39.91 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.16 -1.016 . . . . 0.09 110.725 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.19 159.8 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 124.11 0.964 . . . . 0.08 112.812 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 1.049 ' OE1' ' NH1' ' A' ' 73' ' ' ARG . 81.1 mt-10 -86.49 162.85 44.14 Favored Pre-proline 0 C--O 1.238 0.45 0 N-CA-C 107.149 -1.426 . . . . 0.11 107.149 175.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.67 -36.41 41.12 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 124.321 3.348 . . . . 0.13 117.592 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 1.2 ' CD ' HH21 ' A' ' 73' ' ' ARG . 37.7 mp0 -60.51 -21.61 62.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 120.298 -1.501 . . . . 0.13 113.997 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.675 ' HH ' ' H ' ' A' ' 66' ' ' GLY . 38.0 t80 -66.42 -28.24 68.46 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 114.328 1.233 . . . . 0.1 114.328 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.84 -48.83 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 119.279 0.945 . . . . 0.11 112.1 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.85 -34.25 77.38 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.829 0.823 . . . . 0.15 110.572 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.51 72.63 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 121.127 -0.983 . . . . 0.12 110.733 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 42' ' ' TYR . 94.9 mtp -69.45 -38.62 77.87 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.094 -1.629 . . . . 0.1 109.207 175.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.42 -39.27 74.53 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.896 -1.122 . . . . 0.13 109.172 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -57.81 -45.41 86.15 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.498 -0.481 . . . . 0.15 111.773 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' NH2' ' O2P' ' B' ' 384' ' ' SEP . 45.0 tpt85 -63.16 -38.56 91.65 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 119.397 -0.921 . . . . 0.21 110.959 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.626 ' OE1' ' HE3' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -61.1 -36.7 80.39 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 112.568 0.581 . . . . 0.13 112.568 -178.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 68.6 mttm -62.47 -37.79 87.31 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 112.581 0.586 . . . . 0.17 112.581 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 53' ' ' THR . 86.6 mt -60.98 -42.63 98.72 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 120.325 -1.484 . . . . 1.06 113.499 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 52' ' ' LEU . 28.3 m -172.46 138.0 0.9 Allowed Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 105.448 -2.056 . . . . 1.04 105.448 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -55.53 151.73 36.75 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.987 1.792 . . . . 0.15 113.268 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 63' ' ' VAL . 8.4 t -99.78 10.02 42.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 124.204 1.954 . . . . 0.1 109.723 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -63.33 137.8 58.31 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 105.372 -2.084 . . . . 0.91 105.372 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.0 mt -117.71 10.88 13.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 118.237 -0.887 . . . . 1.04 111.964 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.39 170.51 47.0 Favored Glycine 0 CA--C 1.533 1.181 0 N-CA-C 106.506 -2.638 . . . . 0.11 106.506 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 54.47 38.3 29.4 Favored 'General case' 0 C--O 1.238 0.447 0 N-CA-C 114.795 1.405 . . . . 1.61 114.795 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.493 ' O ' ' OG ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 63.94 22.47 12.99 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 116.178 1.918 . . . . 0.07 116.178 177.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -118.78 137.01 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 119.261 -2.15 . . . . 1.02 111.915 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.64 142.24 50.44 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 106.832 -1.544 . . . . 0.06 106.832 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 21.9 m -130.9 70.97 82.63 Favored Pre-proline 0 C--O 1.241 0.645 0 CA-C-O 121.882 0.849 . . . . 1.07 112.091 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -63.18 141.42 82.61 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.012 2.475 . . . . 0.07 111.594 -177.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.575 ' N ' ' OE1' ' A' ' 65' ' ' GLN . 7.7 pm0 -151.68 171.16 18.09 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.508 -0.769 . . . . 0.19 109.423 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.675 ' H ' ' HH ' ' A' ' 42' ' ' TYR . . . -84.07 170.55 47.48 Favored Glycine 0 N--CA 1.485 1.961 0 CA-C-O 121.977 0.765 . . . . 0.1 112.043 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.6 p -79.06 167.84 20.51 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 119.55 -0.86 . . . . 1.07 111.616 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.667 HG23 ' ND2' ' A' ' 109' ' ' ASN . 8.7 p -59.48 -27.39 37.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 121.457 -0.777 . . . . 1.03 112.586 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -66.36 -27.84 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 120.927 -1.108 . . . . 0.16 113.338 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.73 11.46 22.2 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 115.163 1.542 . . . . 0.12 115.163 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.582 ' HG3' ' N ' ' A' ' 72' ' ' ASP . 17.4 pttt -52.59 -37.76 58.71 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 115.804 1.779 . . . . 0.16 115.804 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.582 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 78.3 m-20 -78.18 -1.24 31.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 121.251 1.842 . . . . 0.13 115.406 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 1.2 HH21 ' CD ' ' A' ' 41' ' ' GLU . 2.6 mmm180 -97.01 3.29 52.03 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 122.363 1.078 . . . . 0.13 109.104 175.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.36 124.68 44.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 O-C-N 119.995 -1.69 . . . . 0.09 109.263 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.7 mt -93.81 -37.58 11.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.811 1.291 . . . . 0.1 110.786 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' HG3' ' HD1' ' A' ' 37' ' ' TYR . 17.7 pttt -160.53 146.83 15.29 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 121.442 -0.786 . . . . 0.11 109.766 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.1 m -60.97 130.96 49.05 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 125.134 1.521 . . . . 0.11 108.925 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' HA3' ' CD1' ' A' ' 37' ' ' TYR . . . -163.3 161.97 34.45 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.4 1.063 . . . . 0.07 111.71 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 m -136.65 149.68 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 124.766 1.226 . . . . 0.07 109.864 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 m -128.82 116.34 40.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 106.04 -1.837 . . . . 0.06 106.04 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -88.04 114.1 24.32 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.932 -1.031 . . . . 0.07 109.152 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 39.3 m -119.91 121.96 40.18 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.747 1.904 . . . . 0.06 110.818 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.451 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . 30.3 tt0 -100.06 126.06 46.22 Favored 'General case' 0 CA--C 1.521 -0.169 0 O-C-N 120.497 -1.377 . . . . 0.09 113.004 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -123.63 86.58 52.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 107.691 -1.225 . . . . 0.09 107.691 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.63 -35.65 93.27 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.624 2.216 . . . . 0.1 113.904 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -80.84 -12.05 59.49 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.021 0.928 . . . . 0.13 112.752 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.55 154.52 26.97 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-O 123.153 1.418 . . . . 0.09 113.468 175.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.0 t -137.79 121.33 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 106.503 -1.666 . . . . 0.1 106.503 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.59 124.42 20.62 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 107.746 -1.205 . . . . 0.16 107.746 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -127.94 -32.04 2.34 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.233 1.197 . . . . 0.1 114.233 -177.163 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.94 -170.85 47.15 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-O 124.17 1.983 . . . . 0.13 113.341 -177.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.31 -49.19 78.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.675 -1.263 . . . . 1.99 113.041 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -91.84 167.12 12.37 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.824 1.046 . . . . 1.99 113.824 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -68.46 -23.38 64.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.744 0.783 . . . . 0.16 112.028 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.502 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 50.3 t0 -75.44 -20.0 59.12 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 126.958 2.103 . . . . 0.13 112.109 177.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -80.49 79.9 7.03 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.818 -1.176 . . . . 0.13 111.331 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 41.7 mm -103.33 133.91 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 124.914 1.285 . . . . 0.1 111.485 -178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.67 132.07 53.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.167 . . . . 0.07 110.476 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.654 HH11 ' HE2' ' A' ' 133' ' ' HIS . 87.6 mtm180 -103.94 -16.59 15.29 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 122.342 1.068 . . . . 0.07 108.699 174.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.92 113.89 23.07 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.551 -1.204 . . . . 0.06 107.816 176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.23 103.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 N-CA-C 106.592 -1.633 . . . . 0.05 106.592 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 76.8 mt -109.36 102.74 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 119.529 -0.868 . . . . 0.05 111.016 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.1 125.87 8.44 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 124.911 1.243 . . . . 0.03 110.989 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 34.6 pt -126.95 149.26 31.92 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-O 125.742 2.687 . . . . 1.02 113.361 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.08 118.05 18.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 104.745 -2.317 . . . . 0.07 104.745 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -128.75 129.31 45.54 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 117.467 -1.693 . . . . 0.1 110.516 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 1.164 ' HE ' ' ND2' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -56.92 148.59 20.67 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.494 -0.928 . . . . 0.15 108.494 178.214 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 1.164 ' ND2' ' HE ' ' A' ' 107' ' ' ARG . 2.5 m120 58.6 29.93 19.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 115.269 1.581 . . . . 0.15 115.269 174.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.667 ' ND2' HG23 ' A' ' 68' ' ' VAL . 92.4 m-20 52.54 34.64 15.98 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 118.658 -2.526 . . . . 2.07 112.957 -176.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -84.76 32.15 0.53 Allowed 'General case' 0 C--N 1.322 -0.621 0 O-C-N 119.917 -1.739 . . . . 0.16 113.473 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -55.16 -38.43 68.29 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 115.328 1.603 . . . . 0.19 115.328 -176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.69 -28.01 44.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 119.881 -0.728 . . . . 1.03 112.388 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.16 -40.72 77.99 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.082 -1.011 . . . . 0.18 109.859 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.2 -43.32 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 119.651 -0.82 . . . . 0.11 110.432 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 93.6 mt -59.52 -44.43 93.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.797 0.808 . . . . 1.03 110.487 177.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.4 m -61.63 -42.54 99.03 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.236 -0.915 . . . . 1.06 111.018 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.1 t -63.95 -45.97 86.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 118.419 -0.801 . . . . 0.14 110.291 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.28 -49.39 75.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.399 0.518 . . . . 0.11 112.399 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.0 p -67.14 -26.82 66.86 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 120.886 -1.134 . . . . 1.02 112.399 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -64.44 -38.78 92.22 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 120.039 -1.663 . . . . 1.97 109.351 175.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.81 -15.79 56.75 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.42 -0.8 . . . . 0.14 111.477 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.8 mt -105.33 26.67 9.13 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.268 1.027 . . . . 0.12 112.994 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -72.19 -13.45 61.55 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 120.916 -1.115 . . . . 1.1 113.497 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -111.24 130.98 55.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.928 0.87 . . . . 0.16 112.113 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -55.13 -35.53 64.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.144 1.535 . . . . 0.14 115.144 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.475 ' O ' ' HG2' ' A' ' 130' ' ' ARG . 60.2 p -66.49 -34.15 77.29 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 118.866 -0.588 . . . . 0.14 111.092 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.8 t -66.18 -43.92 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 119.863 -0.735 . . . . 0.13 110.069 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.5 -46.53 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 122.461 1.124 . . . . 0.1 111.62 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.558 ' HA ' ' OE1' ' A' ' 129' ' ' GLU . 7.6 mm-40 -55.65 -47.65 76.3 Favored 'General case' 0 C--N 1.334 -0.1 0 O-C-N 121.274 -0.892 . . . . 0.09 110.961 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.555 ' NH2' ' OE2' ' A' ' 139' ' ' GLU . 28.4 mmm-85 -61.7 -44.94 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.2 0.444 . . . . 0.14 112.2 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.89 -36.83 85.61 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.422 0.527 . . . . 0.1 112.422 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.99 -29.68 70.82 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 115.039 1.496 . . . . 0.07 115.039 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.654 ' HE2' HH11 ' A' ' 99' ' ' ARG . 97.1 m-70 -125.75 0.52 7.42 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 116.048 1.87 . . . . 0.11 116.048 -176.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.661 ' HG1' ' H ' ' A' ' 136' ' ' SER . 10.7 t -66.93 145.38 55.5 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.703 0.631 . . . . 0.12 112.703 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 77.8 p -106.23 9.35 32.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 122.951 1.358 . . . . 0.16 109.068 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.661 ' H ' ' HG1' ' A' ' 134' ' ' THR . 33.7 t -105.09 116.08 31.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.821 1.786 . . . . 0.15 115.821 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.53 -42.94 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 122.797 1.284 . . . . 0.15 110.654 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -56.7 -40.13 75.06 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.529 -0.732 . . . . 0.18 111.155 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.555 ' OE2' ' NH2' ' A' ' 130' ' ' ARG . 34.2 tt0 -63.2 -42.74 99.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 120.912 -1.117 . . . . 0.15 109.762 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 88.3 t -56.59 -52.08 57.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 115.615 -0.72 . . . . 0.12 109.411 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 73.6 mt -56.42 -46.27 80.31 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.897 -0.321 . . . . 0.15 111.759 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -56.81 -49.56 75.01 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.456 -0.778 . . . . 0.18 112.464 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.38 -23.19 65.56 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 114.024 1.12 . . . . 0.14 114.024 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.556 ' O ' ' NH1' ' A' ' 147' ' ' ARG . 96.8 mt -109.24 8.1 25.6 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 118.768 0.713 . . . . 0.13 112.754 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.592 ' HA ' ' NH1' ' A' ' 147' ' ' ARG . . . -75.37 -25.81 57.98 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 114.572 1.323 . . . . 0.17 114.572 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -81.54 -9.27 85.95 Favored Glycine 0 CA--C 1.518 0.276 0 O-C-N 121.915 -0.49 . . . . 0.18 112.245 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 1.071 ' HD2' ' CZ ' ' A' ' 5' ' ' PHE . 1.1 ptt-85 . . . . . 0 N--CA 1.447 -0.59 0 O-C-N 120.093 -1.828 . . . . 0.15 115.068 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 375' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 121.222 0.534 . . . . 0.21 110.568 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 376' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.9 127.53 55.87 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.638 -0.71 . . . . 0.21 111.722 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 377' ' ' VAL . . . . . . . . . . . . . 68.2 t -67.42 111.87 2.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 N-CA-C 109.952 -0.388 . . . . 0.15 109.952 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 378' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.14 -3.03 0.97 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.405 -0.518 . . . . 0.19 111.063 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 379' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -112.49 122.37 47.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.716 0.769 . . . . 0.1 112.116 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 380' ' ' ILE . . . . . . . . . . . . . 65.2 mt -125.09 126.81 71.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 CA-C-N 114.341 -1.3 . . . . 0.08 109.229 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 381' ' ' ILE . . . . . . . . . . . . . 17.4 tt -135.03 137.23 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.705 . . . . 0.06 110.159 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 382' ' ' VAL . . . . . . . . . . . . . 75.5 t -105.15 133.04 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.151 -0.685 . . . . 0.08 109.151 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . -125.26 157.09 37.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.518 0.675 . . . . 0.1 111.892 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 384' ' ' SEP . . . . . 0.538 ' OG ' ' N ' ' B' ' 387' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -53.16 -58.91 5.41 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.941 0.4 . . . . 1.62 110.712 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 386' ' ' ALA . . . . . 0.414 ' HB2' ' NE ' ' A' ' 49' ' ' ARG . . . -101.44 -17.91 16.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.236 -0.438 . . . . 1.04 110.626 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 387' ' ' GLY . . . . . 0.538 ' N ' ' OG ' ' B' ' 384' ' ' SEP . . . 62.54 32.5 83.45 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 110.354 -1.099 . . . . 0.14 110.354 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 388' ' ' MET . . . . . 0.499 ' N ' ' O2P' ' B' ' 384' ' ' SEP . 63.2 mtm -136.16 10.62 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.373 -0.531 . . . . 1.81 111.659 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 389' ' ' GLY . . . . . . . . . . . . . . . -130.41 -102.38 0.96 Allowed Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.983 -0.847 . . . . 0.17 110.983 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 390' ' ' SER . . . . . 0.453 ' CB ' ' CE1' ' B' ' 452' ' ' PHE . 77.9 p -50.81 -34.74 28.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.611 0.243 . . . . 0.92 111.6 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 391' ' ' SER . . . . . 0.424 ' N ' ' O1P' ' B' ' 384' ' ' SEP . 78.1 p -58.15 -32.59 68.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.39 -0.368 . . . . 0.92 110.823 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 392' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.19 84.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.68 0.276 . . . . 1.03 111.684 -177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 393' ' ' MET . . . . . . . . . . . . . 53.7 tpp -72.58 -49.21 33.89 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.7 -0.4 . . . . 1.03 111.038 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -51.44 -47.34 51.35 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.575 -1.01 . . . . 0.11 110.575 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . 0.683 ' CB ' HD21 ' B' ' 414' ' ' ASN . . . -59.83 -47.93 83.74 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.284 0.475 . . . . 1.02 112.284 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 396' ' ' GLY . . . . . 0.597 ' O ' ' HG3' ' B' ' 400' ' ' LYS . . . -59.98 -49.31 79.91 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.141 -0.552 . . . . 0.13 112.446 -176.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 397' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.11 -49.2 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.682 -0.407 . . . . 1.03 111.183 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 398' ' ' LEU . . . . . . . . . . . . . 27.1 mt -60.4 -44.31 95.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.697 0.761 . . . . 0.1 110.036 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 399' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -56.85 -46.41 81.78 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.547 -1.206 . . . . 3.47 111.175 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' B' ' 396' ' ' GLY . 33.6 mttt -61.53 -45.03 95.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.94 -0.573 . . . . 2.27 111.328 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -62.23 -41.96 98.88 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.359 -0.536 . . . . 0.14 110.639 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.58 -44.77 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.946 -0.57 . . . . 0.15 110.882 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -65.11 -39.79 93.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 0.18 110.161 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -37.09 83.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.704 -0.68 . . . . 0.19 110.525 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' ALA . . . . . . . . . . . . . . . -73.28 0.81 10.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.18 111.516 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' GLY . . . . . . . . . . . . . . . 74.92 22.93 76.06 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.432 -0.889 . . . . 0.2 111.387 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' LEU . . . . . . . . . . . . . 41.4 mt -98.32 61.09 1.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.739 -0.384 . . . . 0.17 110.28 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' SER . . . . . . . . . . . . . 23.8 p -60.98 -15.54 32.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.2 110.316 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 409' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -75.87 -22.33 56.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 0.22 111.019 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 410' ' ' ILE . . . . . . . . . . . . . 89.0 mt -88.07 134.11 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.365 -0.534 . . . . 0.15 109.726 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 2.1 t -108.59 145.88 34.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.974 -0.557 . . . . 0.12 110.66 -178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 412' ' ' VAL . . . . . . . . . . . . . 12.7 t -131.34 129.0 62.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.326 0.584 . . . . 0.1 112.363 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 413' ' ' THR . . . . . . . . . . . . . 7.5 p -147.67 172.82 13.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.943 -1.026 . . . . 0.09 110.48 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' ASN . . . . . 0.683 HD21 ' CB ' ' B' ' 395' ' ' ALA . 2.7 p30 -136.27 152.26 50.53 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.824 -0.436 . . . . 2.03 109.824 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' SER . . . . . 0.667 ' HG ' ' N ' ' B' ' 416' ' ' ALA . 0.0 OUTLIER -166.21 165.33 17.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.153 -0.476 . . . . 0.1 110.061 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' ALA . . . . . 0.667 ' N ' ' HG ' ' B' ' 415' ' ' SER . . . -64.71 153.97 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.413 -0.358 . . . . 0.13 110.359 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.14 -42.1 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.743 -0.466 . . . . 0.14 109.743 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' ASN . . . . . 0.401 HD21 ' HA ' ' B' ' 418' ' ' ASN . 1.3 m120 -54.69 -19.16 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.875 -0.417 . . . . 0.17 109.875 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -121.36 97.77 5.67 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.582 -0.281 . . . . 0.12 111.45 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' LEU . . . . . . . . . . . . . 95.9 mt -139.72 112.63 7.69 Favored Pre-proline 0 CA--C 1.532 0.274 0 N-CA-C 109.177 -0.675 . . . . 0.11 109.177 175.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -59.95 136.64 70.94 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 120.977 1.118 . . . . 0.11 111.465 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.52 -17.89 56.52 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.605 1.537 . . . . 0.14 112.577 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' B' ' 423' ' ' ASP . 1.5 m-20 -81.78 -5.01 57.8 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.278 -0.569 . . . . 0.14 111.594 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.58 138.07 23.61 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.632 -0.427 . . . . 0.11 110.409 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -94.11 -40.57 9.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.12 111.118 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 426' ' ' LEU . . . . . . . . . . . . . 40.2 mt -124.06 132.87 53.72 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.088 0.471 . . . . 0.09 111.087 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 427' ' ' VAL . . . . . . . . . . . . . 53.9 t -123.24 128.22 74.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.477 -0.783 . . . . 0.08 109.233 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 428' ' ' ILE . . . . . . . . . . . . . 83.3 mt -120.39 116.82 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.426 -0.352 . . . . 0.06 110.513 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 429' ' ' THR . . . . . . . . . . . . . 1.7 p -142.7 171.83 13.51 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.253 0.549 . . . . 0.1 110.629 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 430' ' ' HIS . . . . . 0.814 ' HD1' ' H ' ' B' ' 432' ' ' ASP . 64.0 t-80 -73.27 137.03 44.65 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.816 -0.629 . . . . 0.16 109.487 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -44.24 -33.31 1.52 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.868 -0.606 . . . . 0.17 111.978 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 432' ' ' ASP . . . . . 0.814 ' H ' ' HD1' ' B' ' 430' ' ' HIS . 0.5 OUTLIER -65.17 -22.71 66.95 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.002 -0.679 . . . . 2.05 110.995 -178.262 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 27.6 mt -119.9 2.39 11.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 120.537 -0.465 . . . . 1.09 111.813 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 434' ' ' THR . . . . . . . . . . . . . 3.1 p -62.88 -33.25 74.89 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.256 -0.577 . . . . 0.14 110.91 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 435' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.69 -44.23 85.69 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.317 -0.553 . . . . 0.2 109.837 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 436' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -60.92 -47.99 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.612 . . . . 0.21 111.658 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.29 96.98 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.395 -0.522 . . . . 0.13 110.675 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 438' ' ' MET . . . . . 0.576 ' O ' ' N ' ' B' ' 442' ' ' PRO . 44.4 mtt -56.24 -39.99 73.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.918 -0.771 . . . . 0.16 108.918 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -46.23 83.16 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.737 -1.119 . . . . 0.24 111.908 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 440' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -60.97 -43.17 99.17 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.522 -0.918 . . . . 0.16 108.522 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 441' ' ' VAL . . . . . 0.443 ' O ' ' NE2' ' B' ' 446' ' ' HIS . 2.1 m -140.94 86.57 11.56 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-N 115.16 -0.927 . . . . 0.15 109.156 175.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 442' ' ' PRO . . . . . 0.576 ' N ' ' O ' ' B' ' 438' ' ' MET . 40.0 Cg_endo -78.15 -6.14 15.54 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.109 1.873 . . . . 0.19 109.478 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 443' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -90.19 -9.38 48.38 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.921 -1.036 . . . . 0.21 109.86 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 444' ' ' ALA . . . . . . . . . . . . . . . -88.58 169.75 11.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.597 -0.728 . . . . 0.14 110.406 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 445' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -93.67 125.56 38.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.669 -0.493 . . . . 0.14 109.669 176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 446' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' B' ' 441' ' ' VAL . 97.8 m-70 -118.42 137.49 53.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 0.12 110.777 -176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 447' ' ' ILE . . . . . . . . . . . . . 48.0 mm -123.13 128.44 75.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.316 -0.994 . . . . 0.08 108.316 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 448' ' ' SER . . . . . . . . . . . . . 5.6 p -101.6 139.7 36.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.363 0.601 . . . . 0.11 111.696 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 83.5 mt -105.02 167.08 9.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.947 -1.024 . . . . 0.11 109.056 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 450' ' ' THR . . . . . . . . . . . . . 18.6 p -117.29 -39.99 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.024 -0.362 . . . . 0.15 110.024 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 451' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -135.01 153.39 52.1 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.309 0.576 . . . . 2.21 110.58 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 452' ' ' PHE . . . . . 0.453 ' CE1' ' CB ' ' B' ' 390' ' ' SER . 37.5 m-85 -63.09 -38.36 90.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.064 -0.971 . . . . 0.2 112.242 -177.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 453' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' B' ' 455' ' ' SER . 13.3 tp -108.13 21.01 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.188 -0.605 . . . . 1.04 111.263 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 454' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -61.94 79.2 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.577 -0.449 . . . . 0.13 110.303 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 455' ' ' SER . . . . . 0.472 ' N ' ' O ' ' B' ' 453' ' ' LEU . 66.9 p -59.54 -35.36 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.14 111.743 -178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 456' ' ' GLY . . . . . . . . . . . . . . . -60.28 -48.45 86.08 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.91 -0.876 . . . . 0.11 110.91 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 457' ' ' LEU . . . . . . . . . . . . . 74.3 mt -63.07 -45.35 92.6 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.347 -0.541 . . . . 0.1 110.533 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 458' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -59.14 -45.05 91.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.431 -0.507 . . . . 0.1 110.729 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 459' ' ' THR . . . . . . . . . . . . . 97.8 m -61.61 -46.47 89.71 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.581 -0.448 . . . . 0.11 110.69 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 41.2 m -60.41 -44.92 95.26 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.942 0.401 . . . . 0.07 111.363 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 461' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.27 -42.25 99.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.06 110.454 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 462' ' ' THR . . . . . . . . . . . . . 35.0 m -61.45 -47.35 86.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.024 -0.535 . . . . 0.1 111.43 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.25 -39.33 78.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.316 0.579 . . . . 0.11 109.619 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 464' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -64.54 -45.84 85.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.278 -0.873 . . . . 0.11 112.224 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.51 -40.31 96.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.523 -0.547 . . . . 0.12 109.523 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 466' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.8 -45.69 94.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.15 109.406 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 467' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.95 95.47 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.16 110.518 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 468' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' B' ' 471' ' ' HIS . . . -71.84 -25.44 61.97 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.512 -0.313 . . . . 0.16 111.109 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 469' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -67.41 -48.63 66.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.861 0.362 . . . . 0.18 110.586 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.09 -62.73 1.38 Allowed 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 108.561 -0.903 . . . . 0.22 108.561 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 471' ' ' HIS . . . . . 0.57 ' O ' ' O ' ' B' ' 468' ' ' ALA . 2.1 m170 . . . . . 0 N--CA 1.425 -1.721 0 N-CA-C 106.026 -1.842 . . . . 0.21 106.026 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 77' ' ' THR . 15.0 tp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 118.919 -0.562 . . . . 0.14 111.552 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 1.212 ' CZ ' ' HD2' ' A' ' 147' ' ' ARG . 41.8 p90 -136.67 144.55 44.03 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 117.03 -1.868 . . . . 0.12 112.403 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -83.6 143.17 30.31 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 113.996 -1.457 . . . . 0.15 107.67 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.944 ' HA ' HD21 ' A' ' 11' ' ' ASN . 14.2 tp -138.27 126.81 23.39 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.434 -2.062 . . . . 0.13 105.434 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' O ' ' OD1' ' A' ' 11' ' ' ASN . . . -154.34 -169.55 19.23 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 107.01 -2.436 . . . . 0.12 107.01 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.69 77.36 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.289 0.636 . . . . 0.14 112.572 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -64.72 -15.26 61.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 116.622 -1.656 . . . . 0.13 114.357 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.944 HD21 ' HA ' ' A' ' 7' ' ' LEU . 2.9 p-10 -126.35 25.69 6.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 116.863 -1.935 . . . . 0.1 113.087 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.4 mt -117.46 123.8 72.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 124.15 0.98 . . . . 0.11 108.743 174.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -126.93 104.92 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.654 -0.654 . . . . 0.1 110.328 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.553 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 37.9 mt -98.07 159.38 14.98 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 114.67 1.359 . . . . 0.11 114.67 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.35 38.14 85.1 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 116.182 1.233 . . . . 0.12 116.182 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -82.03 169.98 16.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.089 0.947 . . . . 0.14 109.874 177.101 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -140.86 140.41 34.6 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.55 -1.205 . . . . 0.16 108.48 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.6 133.4 11.25 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.574 -0.899 . . . . 0.12 108.574 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.8 -26.47 49.64 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 118.934 -1.106 . . . . 0.15 111.143 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -132.64 158.6 41.85 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 121.217 -0.927 . . . . 0.15 112.769 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.66 ' HE3' ' OE1' ' A' ' 50' ' ' GLU . 28.8 pttt -65.9 -32.77 74.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 118.848 -1.141 . . . . 0.13 109.85 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -61.19 -41.6 97.09 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 119.25 0.932 . . . . 0.14 111.098 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.79 -42.22 99.61 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.481 1.037 . . . . 0.16 111.972 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.05 97.72 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.896 0.855 . . . . 0.1 110.812 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.43 -42.39 96.11 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-O 122.561 1.172 . . . . 0.09 111.398 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -62.04 -37.6 85.53 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 120.702 -1.249 . . . . 0.15 110.785 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.85 -49.32 66.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.704 0.628 . . . . 0.11 109.471 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.99 78.03 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.837 0.711 . . . . 0.07 109.81 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.26 -43.84 95.3 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 125.226 1.393 . . . . 0.08 112.689 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -61.28 -38.61 87.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 120.7 -1.47 . . . . 0.13 111.43 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -73.11 -34.81 66.38 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 123.896 0.878 . . . . 0.11 112.241 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.11 -38.44 91.06 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.199 -0.938 . . . . 0.07 109.411 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.22 -47.19 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 O-C-N 119.38 -2.075 . . . . 0.11 108.417 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.21 -39.9 73.21 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.161 . . . . 0.14 113.917 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.96 8.75 71.81 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 119.882 1.219 . . . . 0.1 115.286 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.1 20.81 80.08 Favored Glycine 0 N--CA 1.448 -0.544 0 O-C-N 120.599 -1.53 . . . . 0.09 114.256 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.58 ' HD1' ' HG3' ' A' ' 76' ' ' LYS . 81.5 m-85 -79.01 -37.14 39.91 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.16 -1.016 . . . . 0.09 110.725 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.19 159.8 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 124.11 0.964 . . . . 0.08 112.812 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 1.049 ' OE1' ' NH1' ' A' ' 73' ' ' ARG . 81.1 mt-10 -86.49 162.85 44.14 Favored Pre-proline 0 C--O 1.238 0.45 0 N-CA-C 107.149 -1.426 . . . . 0.11 107.149 175.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.67 -36.41 41.12 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 124.321 3.348 . . . . 0.12 117.592 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 1.244 ' CD ' HH21 ' A' ' 73' ' ' ARG . 37.7 mp0 -60.51 -21.61 62.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 120.298 -1.501 . . . . 0.13 113.997 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.463 ' O ' ' HG3' ' A' ' 46' ' ' MET . 38.0 t80 -66.42 -28.24 68.46 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 114.328 1.233 . . . . 0.1 114.328 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.84 -48.83 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 119.279 0.945 . . . . 0.1 112.1 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.85 -34.25 77.38 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.829 0.823 . . . . 0.14 110.572 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.51 72.63 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 121.127 -0.983 . . . . 0.11 110.733 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' A' ' 42' ' ' TYR . 94.9 mtp -69.45 -38.62 77.87 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.094 -1.629 . . . . 0.1 109.207 175.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.42 -39.27 74.53 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.896 -1.122 . . . . 0.13 109.172 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -57.81 -45.41 86.15 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.498 -0.481 . . . . 0.15 111.773 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' NE ' ' HB3' ' B' ' 386' ' ' ALA . 45.0 tpt85 -63.16 -38.56 91.65 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 119.397 -0.921 . . . . 0.19 110.959 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.66 ' OE1' ' HE3' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -61.1 -36.7 80.39 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 112.568 0.581 . . . . 0.13 112.568 -178.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.507 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 68.6 mttm -62.47 -37.79 87.31 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 112.581 0.586 . . . . 0.17 112.581 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' A' ' 53' ' ' THR . 86.6 mt -60.98 -42.63 98.72 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 120.325 -1.484 . . . . 0.25 113.499 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 52' ' ' LEU . 28.3 m -172.46 138.0 0.9 Allowed Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 105.448 -2.056 . . . . 0.19 105.448 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -55.53 151.73 36.75 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.987 1.792 . . . . 0.14 113.268 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.462 HG21 ' CA ' ' A' ' 64' ' ' PRO . 8.4 t -99.78 10.02 42.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 124.204 1.954 . . . . 0.1 109.723 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -63.33 137.8 58.31 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 105.372 -2.084 . . . . 0.33 105.372 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 57' ' ' LEU . 27.0 mt -117.71 10.88 13.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 118.237 -0.887 . . . . 0.2 111.964 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.39 170.51 47.0 Favored Glycine 0 CA--C 1.533 1.181 0 N-CA-C 106.506 -2.638 . . . . 0.1 106.506 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 54.47 38.3 29.4 Favored 'General case' 0 C--O 1.238 0.447 0 N-CA-C 114.795 1.405 . . . . 1.61 114.795 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.493 ' O ' ' OG ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 63.94 22.47 12.99 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 116.178 1.918 . . . . 0.07 116.178 177.701 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -118.78 137.01 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 119.261 -2.15 . . . . 0.07 111.915 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.64 142.24 50.44 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 106.832 -1.544 . . . . 0.05 106.832 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 63' ' ' VAL . 21.9 m -130.9 70.97 82.63 Favored Pre-proline 0 C--O 1.241 0.645 0 CA-C-O 121.882 0.849 . . . . 0.22 112.091 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.462 ' CA ' HG21 ' A' ' 55' ' ' THR . 18.4 Cg_endo -63.18 141.42 82.61 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.012 2.475 . . . . 0.06 111.594 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.575 ' N ' ' OE1' ' A' ' 65' ' ' GLN . 7.7 pm0 -151.68 171.16 18.09 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.508 -0.769 . . . . 0.19 109.423 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.07 170.55 47.48 Favored Glycine 0 N--CA 1.485 1.961 0 CA-C-O 121.977 0.765 . . . . 0.1 112.043 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.6 p -79.06 167.84 20.51 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 119.55 -0.86 . . . . 0.25 111.616 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.578 HG23 ' ND2' ' A' ' 109' ' ' ASN . 8.7 p -59.48 -27.39 37.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 121.457 -0.777 . . . . 0.16 112.586 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -66.36 -27.84 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 120.927 -1.108 . . . . 0.16 113.338 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.73 11.46 22.2 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 115.163 1.542 . . . . 0.12 115.163 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.65 ' HG3' ' N ' ' A' ' 72' ' ' ASP . 17.4 pttt -52.59 -37.76 58.71 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 115.804 1.779 . . . . 0.15 115.804 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.65 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 78.3 m-20 -78.18 -1.24 31.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 121.251 1.842 . . . . 0.13 115.406 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 1.244 HH21 ' CD ' ' A' ' 41' ' ' GLU . 2.6 mmm180 -97.01 3.29 52.03 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 122.363 1.078 . . . . 0.12 109.104 175.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.36 124.68 44.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 O-C-N 119.995 -1.69 . . . . 0.09 109.263 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.7 mt -93.81 -37.58 11.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.811 1.291 . . . . 0.09 110.786 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG3' ' HD1' ' A' ' 37' ' ' TYR . 17.7 pttt -160.53 146.83 15.29 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 121.442 -0.786 . . . . 0.1 109.766 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.491 HG21 ' HG ' ' A' ' 4' ' ' LEU . 28.1 m -60.97 130.96 49.05 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 125.134 1.521 . . . . 0.1 108.925 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.42 ' HA3' ' CD1' ' A' ' 37' ' ' TYR . . . -163.3 161.97 34.45 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.4 1.063 . . . . 0.07 111.71 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 m -136.65 149.68 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 124.766 1.226 . . . . 0.07 109.864 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 80' ' ' VAL . 16.6 m -128.82 116.34 40.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 106.04 -1.837 . . . . 0.05 106.04 173.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.632 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 59.7 t80 -88.04 114.1 24.32 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.932 -1.031 . . . . 0.06 109.152 -177.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 39.3 m -119.91 121.96 40.18 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.747 1.904 . . . . 0.05 110.818 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.553 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . 30.3 tt0 -100.06 126.06 46.22 Favored 'General case' 0 CA--C 1.521 -0.169 0 O-C-N 120.497 -1.377 . . . . 0.09 113.004 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -123.63 86.58 52.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 107.691 -1.225 . . . . 0.08 107.691 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.63 -35.65 93.27 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.624 2.216 . . . . 0.09 113.904 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -80.84 -12.05 59.49 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.021 0.928 . . . . 0.13 112.752 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.55 154.52 26.97 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-O 123.153 1.418 . . . . 0.09 113.468 175.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.0 t -137.79 121.33 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 106.503 -1.666 . . . . 0.09 106.503 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.879 ' HA ' HD13 ' A' ' 97' ' ' ILE . 4.5 ttt180 -61.59 124.42 20.62 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 107.746 -1.205 . . . . 0.15 107.746 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -127.94 -32.04 2.34 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.233 1.197 . . . . 0.1 114.233 -177.163 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.94 -170.85 47.15 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-O 124.17 1.983 . . . . 0.13 113.341 -177.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.31 -49.19 78.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.675 -1.263 . . . . 1.99 113.041 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -91.84 167.12 12.37 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.824 1.046 . . . . 1.99 113.824 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -68.46 -23.38 64.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.744 0.783 . . . . 0.15 112.028 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.502 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 50.3 t0 -75.44 -20.0 59.12 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 126.958 2.103 . . . . 0.12 112.109 177.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -80.49 79.9 7.03 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.818 -1.176 . . . . 0.13 111.331 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.879 HD13 ' HA ' ' A' ' 89' ' ' ARG . 41.7 mm -103.33 133.91 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 124.914 1.285 . . . . 0.1 111.485 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.67 132.07 53.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.167 . . . . 0.06 110.476 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -103.94 -16.59 15.29 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 122.342 1.068 . . . . 0.06 108.699 174.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD22 ' CZ ' ' A' ' 81' ' ' PHE . 72.4 mt -116.92 113.89 23.07 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.551 -1.204 . . . . 0.05 107.816 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.23 103.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 N-CA-C 106.592 -1.633 . . . . 0.04 106.592 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 76.8 mt -109.36 102.74 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 119.529 -0.868 . . . . 0.04 111.016 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.1 125.87 8.44 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 124.911 1.243 . . . . 0.03 110.989 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 34.6 pt -126.95 149.26 31.92 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-O 125.742 2.687 . . . . 0.07 113.361 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.08 118.05 18.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 104.745 -2.317 . . . . 0.07 104.745 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -128.75 129.31 45.54 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 117.467 -1.693 . . . . 0.09 110.516 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 1.222 ' HE ' ' ND2' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -56.92 148.59 20.67 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.494 -0.928 . . . . 0.15 108.494 178.214 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 1.222 ' ND2' ' HE ' ' A' ' 107' ' ' ARG . 2.5 m120 58.6 29.93 19.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 115.269 1.581 . . . . 0.15 115.269 174.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.578 ' ND2' HG23 ' A' ' 68' ' ' VAL . 92.4 m-20 52.54 34.64 15.98 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 118.658 -2.526 . . . . 1.28 112.957 -176.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -84.76 32.15 0.53 Allowed 'General case' 0 C--N 1.322 -0.621 0 O-C-N 119.917 -1.739 . . . . 0.16 113.473 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 65' ' ' GLN . 79.4 m80 -55.16 -38.43 68.29 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 115.328 1.603 . . . . 0.16 115.328 -176.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.819 HG21 ' ND2' ' B' ' 414' ' ' ASN . 32.8 mm -63.69 -28.01 44.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 119.881 -0.728 . . . . 0.16 112.388 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.16 -40.72 77.99 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.082 -1.011 . . . . 0.17 109.859 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.2 -43.32 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 119.651 -0.82 . . . . 0.11 110.432 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.538 HG21 ' CB ' ' B' ' 392' ' ' ALA . 93.6 mt -59.52 -44.43 93.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.797 0.808 . . . . 0.11 110.487 177.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.4 m -61.63 -42.54 99.03 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.236 -0.915 . . . . 0.24 111.018 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.1 t -63.95 -45.97 86.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 118.419 -0.801 . . . . 0.13 110.291 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.28 -49.39 75.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.399 0.518 . . . . 0.11 112.399 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.0 p -67.14 -26.82 66.86 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 120.886 -1.134 . . . . 0.13 112.399 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -64.44 -38.78 92.22 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 120.039 -1.663 . . . . 1.13 109.351 175.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.81 -15.79 56.75 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.42 -0.8 . . . . 0.13 111.477 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.8 mt -105.33 26.67 9.13 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.268 1.027 . . . . 0.12 112.994 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -72.19 -13.45 61.55 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 120.916 -1.115 . . . . 1.1 113.497 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -111.24 130.98 55.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.928 0.87 . . . . 0.16 112.113 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -55.13 -35.53 64.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.144 1.535 . . . . 0.14 115.144 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 130' ' ' ARG . 60.2 p -66.49 -34.15 77.29 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 118.866 -0.588 . . . . 0.14 111.092 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.8 t -66.18 -43.92 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 119.863 -0.735 . . . . 0.13 110.069 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.5 -46.53 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 122.461 1.124 . . . . 0.09 111.62 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.605 ' HA ' ' OE1' ' A' ' 129' ' ' GLU . 7.6 mm-40 -55.65 -47.65 76.3 Favored 'General case' 0 C--N 1.334 -0.1 0 O-C-N 121.274 -0.892 . . . . 0.09 110.961 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.565 ' HG3' HH11 ' A' ' 130' ' ' ARG . 28.4 mmm-85 -61.7 -44.94 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.2 0.444 . . . . 0.14 112.2 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.89 -36.83 85.61 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.422 0.527 . . . . 0.09 112.422 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.99 -29.68 70.82 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 115.039 1.496 . . . . 0.07 115.039 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -125.75 0.52 7.42 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 116.048 1.87 . . . . 0.11 116.048 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 10.7 t -66.93 145.38 55.5 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.703 0.631 . . . . 0.12 112.703 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 77.8 p -106.23 9.35 32.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 122.951 1.358 . . . . 0.15 109.068 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.7 t -105.09 116.08 31.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.821 1.786 . . . . 0.15 115.821 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.53 -42.94 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 122.797 1.284 . . . . 0.14 110.654 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -56.7 -40.13 75.06 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.529 -0.732 . . . . 0.18 111.155 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.555 ' OE2' ' NH2' ' A' ' 130' ' ' ARG . 34.2 tt0 -63.2 -42.74 99.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 120.912 -1.117 . . . . 0.14 109.762 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 88.3 t -56.59 -52.08 57.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 115.615 -0.72 . . . . 0.12 109.411 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 141' ' ' LEU . 73.6 mt -56.42 -46.27 80.31 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.897 -0.321 . . . . 0.14 111.759 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -56.81 -49.56 75.01 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.456 -0.778 . . . . 0.18 112.464 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.38 -23.19 65.56 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 114.024 1.12 . . . . 0.14 114.024 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.556 ' O ' ' NH1' ' A' ' 147' ' ' ARG . 96.8 mt -109.24 8.1 25.6 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 118.768 0.713 . . . . 0.13 112.754 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.694 ' HA ' HH12 ' A' ' 147' ' ' ARG . . . -75.37 -25.81 57.98 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 114.572 1.323 . . . . 0.16 114.572 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -81.54 -9.27 85.95 Favored Glycine 0 CA--C 1.518 0.276 0 O-C-N 121.915 -0.49 . . . . 0.17 112.245 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 1.212 ' HD2' ' CZ ' ' A' ' 5' ' ' PHE . 1.1 ptt-85 . . . . . 0 N--CA 1.447 -0.59 0 O-C-N 120.093 -1.828 . . . . 0.15 115.068 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 375' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 121.222 0.534 . . . . 0.2 110.568 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 376' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.9 127.53 55.87 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.638 -0.71 . . . . 0.21 111.722 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 377' ' ' VAL . . . . . . . . . . . . . 68.2 t -67.42 111.87 2.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 N-CA-C 109.952 -0.388 . . . . 0.15 109.952 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 378' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.14 -3.03 0.97 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.405 -0.518 . . . . 0.18 111.063 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 379' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -112.49 122.37 47.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.716 0.769 . . . . 0.1 112.116 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 380' ' ' ILE . . . . . . . . . . . . . 65.2 mt -125.09 126.81 71.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 CA-C-N 114.341 -1.3 . . . . 0.07 109.229 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 381' ' ' ILE . . . . . 0.449 HG22 HG21 ' B' ' 424' ' ' VAL . 17.4 tt -135.03 137.23 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.705 . . . . 0.06 110.159 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 382' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' B' ' 428' ' ' ILE . 75.5 t -105.15 133.04 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.151 -0.685 . . . . 0.07 109.151 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 383' ' ' ALA . . . . . 0.474 ' HB2' HD21 ' B' ' 420' ' ' LEU . . . -125.26 157.09 37.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.518 0.675 . . . . 0.1 111.892 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 384' ' ' SEP . . . . . 0.591 ' O2P' ' N ' ' B' ' 388' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -53.16 -58.91 5.41 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.941 0.4 . . . . 1.62 110.712 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 386' ' ' ALA . . . . . 0.456 ' HB3' ' NE ' ' A' ' 49' ' ' ARG . . . -101.44 -17.91 16.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.236 -0.438 . . . . 0.17 110.626 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 387' ' ' GLY . . . . . 0.538 ' N ' ' OG ' ' B' ' 384' ' ' SEP . . . 62.54 32.5 83.45 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 110.354 -1.099 . . . . 0.14 110.354 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 388' ' ' MET . . . . . 0.591 ' N ' ' O2P' ' B' ' 384' ' ' SEP . 63.2 mtm -136.16 10.62 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.373 -0.531 . . . . 1.22 111.659 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 389' ' ' GLY . . . . . . . . . . . . . . . -130.41 -102.38 0.96 Allowed Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.983 -0.847 . . . . 0.16 110.983 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 390' ' ' SER . . . . . 0.453 ' CB ' ' CE1' ' B' ' 452' ' ' PHE . 77.9 p -50.81 -34.74 28.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.611 0.243 . . . . 0.15 111.6 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 391' ' ' SER . . . . . . . . . . . . . 78.1 p -58.15 -32.59 68.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.39 -0.368 . . . . 0.12 110.823 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 392' ' ' ALA . . . . . 0.538 ' CB ' HG21 ' A' ' 115' ' ' ILE . . . -66.71 -43.19 84.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.68 0.276 . . . . 0.14 111.684 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 393' ' ' MET . . . . . . . . . . . . . 53.7 tpp -72.58 -49.21 33.89 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.7 -0.4 . . . . 0.16 111.038 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -51.44 -47.34 51.35 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.575 -1.01 . . . . 0.11 110.575 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -59.83 -47.93 83.74 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.284 0.475 . . . . 0.1 112.284 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 396' ' ' GLY . . . . . 0.645 ' O ' ' HG3' ' B' ' 400' ' ' LYS . . . -59.98 -49.31 79.91 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.141 -0.552 . . . . 0.12 112.446 -176.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 397' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.11 -49.2 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.682 -0.407 . . . . 0.13 111.183 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 398' ' ' LEU . . . . . . . . . . . . . 27.1 mt -60.4 -44.31 95.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.697 0.761 . . . . 0.1 110.036 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 399' ' ' ARG . . . . . 0.509 ' HB2' HG11 ' B' ' 412' ' ' VAL . 20.4 ttt180 -56.85 -46.41 81.78 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.547 -1.206 . . . . 2.95 111.175 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' B' ' 396' ' ' GLY . 33.6 mttt -61.53 -45.03 95.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.94 -0.573 . . . . 1.76 111.328 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -62.23 -41.96 98.88 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.359 -0.536 . . . . 0.14 110.639 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.536 HD12 HG21 ' B' ' 412' ' ' VAL . 88.9 mt -62.58 -44.77 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.946 -0.57 . . . . 0.15 110.882 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -65.11 -39.79 93.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 0.18 110.161 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -37.09 83.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.704 -0.68 . . . . 0.19 110.525 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 405' ' ' ALA . . . . . . . . . . . . . . . -73.28 0.81 10.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.18 111.516 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 406' ' ' GLY . . . . . . . . . . . . . . . 74.92 22.93 76.06 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.432 -0.889 . . . . 0.19 111.387 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 407' ' ' LEU . . . . . . . . . . . . . 41.4 mt -98.32 61.09 1.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.739 -0.384 . . . . 0.17 110.28 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 408' ' ' SER . . . . . . . . . . . . . 23.8 p -60.98 -15.54 32.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.2 110.316 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 409' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -75.87 -22.33 56.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 0.21 111.019 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 410' ' ' ILE . . . . . . . . . . . . . 89.0 mt -88.07 134.11 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.365 -0.534 . . . . 0.14 109.726 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 2.1 t -108.59 145.88 34.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.974 -0.557 . . . . 0.11 110.66 -178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 412' ' ' VAL . . . . . 0.536 HG21 HD12 ' B' ' 402' ' ' ILE . 12.7 t -131.34 129.0 62.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.326 0.584 . . . . 0.09 112.363 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 413' ' ' THR . . . . . . . . . . . . . 7.5 p -147.67 172.82 13.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.943 -1.026 . . . . 0.09 110.48 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 414' ' ' ASN . . . . . 0.819 ' ND2' HG21 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -136.27 152.26 50.53 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.824 -0.436 . . . . 1.38 109.824 178.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.21 165.33 17.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.153 -0.476 . . . . 0.09 110.061 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -64.71 153.97 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.413 -0.358 . . . . 0.12 110.359 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 417' ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.14 -42.1 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.743 -0.466 . . . . 0.13 109.743 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 418' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -54.69 -19.16 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.875 -0.417 . . . . 0.17 109.875 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 419' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -121.36 97.77 5.67 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.582 -0.281 . . . . 0.11 111.45 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 420' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' B' ' 383' ' ' ALA . 95.9 mt -139.72 112.63 7.69 Favored Pre-proline 0 CA--C 1.532 0.274 0 N-CA-C 109.177 -0.675 . . . . 0.11 109.177 175.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 421' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -59.95 136.64 70.94 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 120.977 1.118 . . . . 0.11 111.465 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 422' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.52 -17.89 56.52 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.605 1.537 . . . . 0.14 112.577 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 423' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' B' ' 423' ' ' ASP . 1.5 m-20 -81.78 -5.01 57.8 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.278 -0.569 . . . . 0.14 111.594 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 424' ' ' VAL . . . . . 0.449 HG21 HG22 ' B' ' 381' ' ' ILE . 8.2 p -63.58 138.07 23.61 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.632 -0.427 . . . . 0.11 110.409 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -94.11 -40.57 9.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.12 111.118 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 426' ' ' LEU . . . . . . . . . . . . . 40.2 mt -124.06 132.87 53.72 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.088 0.471 . . . . 0.08 111.087 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 427' ' ' VAL . . . . . . . . . . . . . 53.9 t -123.24 128.22 74.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.477 -0.783 . . . . 0.07 109.233 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 428' ' ' ILE . . . . . 0.448 ' HB ' HG22 ' B' ' 382' ' ' VAL . 83.3 mt -120.39 116.82 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.426 -0.352 . . . . 0.06 110.513 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 429' ' ' THR . . . . . . . . . . . . . 1.7 p -142.7 171.83 13.51 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.253 0.549 . . . . 0.1 110.629 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 430' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -73.27 137.03 44.65 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.816 -0.629 . . . . 0.15 109.487 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -44.24 -33.31 1.52 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.868 -0.606 . . . . 0.16 111.978 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 432' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -22.71 66.95 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.002 -0.679 . . . . 2.05 110.995 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 27.6 mt -119.9 2.39 11.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 120.537 -0.465 . . . . 0.33 111.813 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 434' ' ' THR . . . . . 0.412 HG21 ' CB ' ' B' ' 448' ' ' SER . 3.1 p -62.88 -33.25 74.89 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.256 -0.577 . . . . 0.14 110.91 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 435' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.69 -44.23 85.69 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.317 -0.553 . . . . 0.2 109.837 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 436' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -60.92 -47.99 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.612 . . . . 0.2 111.658 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.29 96.98 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.395 -0.522 . . . . 0.13 110.675 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 438' ' ' MET . . . . . 0.576 ' O ' ' N ' ' B' ' 442' ' ' PRO . 44.4 mtt -56.24 -39.99 73.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.918 -0.771 . . . . 0.16 108.918 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -46.23 83.16 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.737 -1.119 . . . . 0.23 111.908 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 440' ' ' GLN . . . . . 0.444 ' OE1' HD12 ' B' ' 420' ' ' LEU . 55.4 tt0 -60.97 -43.17 99.17 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.522 -0.918 . . . . 0.15 108.522 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 441' ' ' VAL . . . . . . . . . . . . . 2.1 m -140.94 86.57 11.56 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-N 115.16 -0.927 . . . . 0.14 109.156 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 442' ' ' PRO . . . . . 0.576 ' N ' ' O ' ' B' ' 438' ' ' MET . 40.0 Cg_endo -78.15 -6.14 15.54 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.109 1.873 . . . . 0.18 109.478 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 443' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -90.19 -9.38 48.38 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.921 -1.036 . . . . 0.2 109.86 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 444' ' ' ALA . . . . . . . . . . . . . . . -88.58 169.75 11.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.597 -0.728 . . . . 0.14 110.406 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 445' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -93.67 125.56 38.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.669 -0.493 . . . . 0.13 109.669 176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 446' ' ' HIS . . . . . 0.414 ' NE2' ' HA ' ' B' ' 438' ' ' MET . 97.8 m-70 -118.42 137.49 53.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 0.12 110.777 -176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 447' ' ' ILE . . . . . . . . . . . . . 48.0 mm -123.13 128.44 75.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.316 -0.994 . . . . 0.07 108.316 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 448' ' ' SER . . . . . 0.412 ' CB ' HG21 ' B' ' 434' ' ' THR . 5.6 p -101.6 139.7 36.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.363 0.601 . . . . 0.1 111.696 -176.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 83.5 mt -105.02 167.08 9.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.947 -1.024 . . . . 0.11 109.056 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 450' ' ' THR . . . . . . . . . . . . . 18.6 p -117.29 -39.99 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.024 -0.362 . . . . 0.15 110.024 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 451' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -135.01 153.39 52.1 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.309 0.576 . . . . 1.7 110.58 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 452' ' ' PHE . . . . . 0.453 ' CE1' ' CB ' ' B' ' 390' ' ' SER . 37.5 m-85 -63.09 -38.36 90.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.064 -0.971 . . . . 0.18 112.242 -177.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 453' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' B' ' 455' ' ' SER . 13.3 tp -108.13 21.01 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.188 -0.605 . . . . 0.18 111.263 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 454' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -61.94 79.2 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.577 -0.449 . . . . 0.13 110.303 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 455' ' ' SER . . . . . 0.472 ' N ' ' O ' ' B' ' 453' ' ' LEU . 66.9 p -59.54 -35.36 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.13 111.743 -178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 456' ' ' GLY . . . . . . . . . . . . . . . -60.28 -48.45 86.08 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.91 -0.876 . . . . 0.11 110.91 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 457' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 457' ' ' LEU . 74.3 mt -63.07 -45.35 92.6 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.347 -0.541 . . . . 0.09 110.533 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 458' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -59.14 -45.05 91.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.431 -0.507 . . . . 0.09 110.729 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 459' ' ' THR . . . . . . . . . . . . . 97.8 m -61.61 -46.47 89.71 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.581 -0.448 . . . . 0.1 110.69 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 41.2 m -60.41 -44.92 95.26 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.942 0.401 . . . . 0.07 111.363 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 461' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.27 -42.25 99.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.06 110.454 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 462' ' ' THR . . . . . . . . . . . . . 35.0 m -61.45 -47.35 86.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.024 -0.535 . . . . 0.1 111.43 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.25 -39.33 78.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.316 0.579 . . . . 0.11 109.619 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 464' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -64.54 -45.84 85.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.278 -0.873 . . . . 0.11 112.224 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.51 -40.31 96.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.523 -0.547 . . . . 0.12 109.523 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 466' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.8 -45.69 94.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.15 109.406 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 467' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.95 95.47 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.16 110.518 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 468' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' B' ' 471' ' ' HIS . . . -71.84 -25.44 61.97 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.512 -0.313 . . . . 0.16 111.109 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 469' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -67.41 -48.63 66.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.861 0.362 . . . . 0.18 110.586 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.09 -62.73 1.38 Allowed 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 108.561 -0.903 . . . . 0.21 108.561 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 471' ' ' HIS . . . . . 0.57 ' O ' ' O ' ' B' ' 468' ' ' ALA . 2.1 m170 . . . . . 0 N--CA 1.425 -1.721 0 N-CA-C 106.026 -1.842 . . . . 0.21 106.026 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 77' ' ' THR . 15.0 tp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 118.919 -0.562 . . . . 0.14 111.552 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 1.212 ' CZ ' ' HD2' ' A' ' 147' ' ' ARG . 41.8 p90 -136.67 144.55 44.03 Favored 'General case' 0 C--O 1.219 -0.518 0 C-N-CA 117.03 -1.868 . . . . 0.12 112.403 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -83.6 143.17 30.31 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 113.996 -1.457 . . . . 0.15 107.67 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.944 ' HA ' HD21 ' A' ' 11' ' ' ASN . 14.2 tp -138.27 126.81 23.39 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.434 -2.062 . . . . 0.13 105.434 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' O ' ' OD1' ' A' ' 11' ' ' ASN . . . -154.34 -169.55 19.23 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 107.01 -2.436 . . . . 0.12 107.01 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.69 77.36 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.289 0.636 . . . . 0.14 112.572 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -64.72 -15.26 61.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 116.622 -1.656 . . . . 0.13 114.357 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.944 HD21 ' HA ' ' A' ' 7' ' ' LEU . 2.9 p-10 -126.35 25.69 6.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 116.863 -1.935 . . . . 0.1 113.087 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.4 mt -117.46 123.8 72.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 C-N-CA 124.15 0.98 . . . . 0.11 108.743 174.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -126.93 104.92 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.654 -0.654 . . . . 0.1 110.328 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.553 ' HA ' ' HB3' ' A' ' 83' ' ' GLN . 37.9 mt -98.07 159.38 14.98 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 114.67 1.359 . . . . 0.11 114.67 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.35 38.14 85.1 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 116.182 1.233 . . . . 0.12 116.182 175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -82.03 169.98 16.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.089 0.947 . . . . 0.14 109.874 177.101 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -140.86 140.41 34.6 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.55 -1.205 . . . . 0.16 108.48 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.6 133.4 11.25 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.574 -0.899 . . . . 0.12 108.574 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.8 -26.47 49.64 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 118.934 -1.106 . . . . 0.15 111.143 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.8 p -132.64 158.6 41.85 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 121.217 -0.927 . . . . 0.15 112.769 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.66 ' HE3' ' OE1' ' A' ' 50' ' ' GLU . 28.8 pttt -65.9 -32.77 74.47 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 118.848 -1.141 . . . . 0.13 109.85 174.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 mp0 -61.19 -41.6 97.09 Favored 'General case' 0 C--O 1.241 0.65 0 CA-C-N 119.25 0.932 . . . . 0.14 111.098 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.79 -42.22 99.61 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.481 1.037 . . . . 0.16 111.972 175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.05 97.72 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.896 0.855 . . . . 0.1 110.812 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.43 -42.39 96.11 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-O 122.561 1.172 . . . . 0.09 111.398 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -62.04 -37.6 85.53 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 120.702 -1.249 . . . . 0.15 110.785 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.85 -49.32 66.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.704 0.628 . . . . 0.11 109.471 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.84 -46.99 78.03 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.837 0.711 . . . . 0.07 109.81 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.26 -43.84 95.3 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 125.226 1.393 . . . . 0.08 112.689 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -61.28 -38.61 87.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 120.7 -1.47 . . . . 0.13 111.43 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -73.11 -34.81 66.38 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 123.896 0.878 . . . . 0.11 112.241 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.3 mt -64.11 -38.44 91.06 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.199 -0.938 . . . . 0.07 109.411 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.22 -47.19 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 O-C-N 119.38 -2.075 . . . . 0.11 108.417 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -56.21 -39.9 73.21 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.557 1.161 . . . . 0.14 113.917 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.96 8.75 71.81 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 119.882 1.219 . . . . 0.1 115.286 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.1 20.81 80.08 Favored Glycine 0 N--CA 1.448 -0.544 0 O-C-N 120.599 -1.53 . . . . 0.09 114.256 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.58 ' HD1' ' HG3' ' A' ' 76' ' ' LYS . 81.5 m-85 -79.01 -37.14 39.91 Favored 'General case' 0 C--N 1.344 0.34 0 C-N-CA 119.16 -1.016 . . . . 0.09 110.725 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.19 159.8 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 124.11 0.964 . . . . 0.08 112.812 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 1.049 ' OE1' ' NH1' ' A' ' 73' ' ' ARG . 81.1 mt-10 -86.49 162.85 44.14 Favored Pre-proline 0 C--O 1.238 0.45 0 N-CA-C 107.149 -1.426 . . . . 0.11 107.149 175.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -49.67 -36.41 41.12 Favored 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 124.321 3.348 . . . . 0.12 117.592 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 1.244 ' CD ' HH21 ' A' ' 73' ' ' ARG . 37.7 mp0 -60.51 -21.61 62.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 120.298 -1.501 . . . . 0.13 113.997 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.463 ' O ' ' HG3' ' A' ' 46' ' ' MET . 38.0 t80 -66.42 -28.24 68.46 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 114.328 1.233 . . . . 0.1 114.328 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.84 -48.83 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 119.279 0.945 . . . . 0.1 112.1 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.85 -34.25 77.38 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.829 0.823 . . . . 0.14 110.572 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.6 -32.51 72.63 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 121.127 -0.983 . . . . 0.11 110.733 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.463 ' HG3' ' O ' ' A' ' 42' ' ' TYR . 94.9 mtp -69.45 -38.62 77.87 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 120.094 -1.629 . . . . 0.1 109.207 175.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.42 -39.27 74.53 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 118.896 -1.122 . . . . 0.13 109.172 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -57.81 -45.41 86.15 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.498 -0.481 . . . . 0.15 111.773 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' NE ' ' HB3' ' B' ' 386' ' ' ALA . 45.0 tpt85 -63.16 -38.56 91.65 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 119.397 -0.921 . . . . 0.19 110.959 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.66 ' OE1' ' HE3' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -61.1 -36.7 80.39 Favored 'General case' 0 C--O 1.238 0.477 0 N-CA-C 112.568 0.581 . . . . 0.13 112.568 -178.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.507 ' N ' ' HG2' ' A' ' 50' ' ' GLU . 68.6 mttm -62.47 -37.79 87.31 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 112.581 0.586 . . . . 0.17 112.581 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' A' ' 53' ' ' THR . 86.6 mt -60.98 -42.63 98.72 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 120.325 -1.484 . . . . 0.25 113.499 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 52' ' ' LEU . 28.3 m -172.46 138.0 0.9 Allowed Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 105.448 -2.056 . . . . 0.19 105.448 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -55.53 151.73 36.75 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 121.987 1.792 . . . . 0.14 113.268 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.462 HG21 ' CA ' ' A' ' 64' ' ' PRO . 8.4 t -99.78 10.02 42.05 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 124.204 1.954 . . . . 0.1 109.723 179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -63.33 137.8 58.31 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 105.372 -2.084 . . . . 0.33 105.372 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 57' ' ' LEU . 27.0 mt -117.71 10.88 13.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 118.237 -0.887 . . . . 0.2 111.964 -177.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 86.39 170.51 47.0 Favored Glycine 0 CA--C 1.533 1.181 0 N-CA-C 106.506 -2.638 . . . . 0.1 106.506 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 54.47 38.3 29.4 Favored 'General case' 0 C--O 1.238 0.447 0 N-CA-C 114.795 1.405 . . . . 1.61 114.795 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.493 ' O ' ' OG ' ' A' ' 60' ' ' SER . 0.0 OUTLIER 63.94 22.47 12.99 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 116.178 1.918 . . . . 0.07 116.178 177.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.5 mt -118.78 137.01 54.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 119.261 -2.15 . . . . 0.07 111.915 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.64 142.24 50.44 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 106.832 -1.544 . . . . 0.05 106.832 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 63' ' ' VAL . 21.9 m -130.9 70.97 82.63 Favored Pre-proline 0 C--O 1.241 0.645 0 CA-C-O 121.882 0.849 . . . . 0.22 112.091 -177.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.462 ' CA ' HG21 ' A' ' 55' ' ' THR . 18.4 Cg_endo -63.18 141.42 82.61 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.012 2.475 . . . . 0.06 111.594 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.575 ' N ' ' OE1' ' A' ' 65' ' ' GLN . 7.7 pm0 -151.68 171.16 18.09 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.508 -0.769 . . . . 0.19 109.423 178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.07 170.55 47.48 Favored Glycine 0 N--CA 1.485 1.961 0 CA-C-O 121.977 0.765 . . . . 0.1 112.043 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.6 p -79.06 167.84 20.51 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 119.55 -0.86 . . . . 0.25 111.616 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.578 HG23 ' ND2' ' A' ' 109' ' ' ASN . 8.7 p -59.48 -27.39 37.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 O-C-N 121.457 -0.777 . . . . 0.16 112.586 174.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -66.36 -27.84 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 120.927 -1.108 . . . . 0.16 113.338 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -90.73 11.46 22.2 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 115.163 1.542 . . . . 0.12 115.163 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.65 ' HG3' ' N ' ' A' ' 72' ' ' ASP . 17.4 pttt -52.59 -37.76 58.71 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 115.804 1.779 . . . . 0.15 115.804 -178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.65 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 78.3 m-20 -78.18 -1.24 31.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 121.251 1.842 . . . . 0.13 115.406 178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 1.244 HH21 ' CD ' ' A' ' 41' ' ' GLU . 2.6 mmm180 -97.01 3.29 52.03 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 122.363 1.078 . . . . 0.12 109.104 175.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.9 t -92.36 124.68 44.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 O-C-N 119.995 -1.69 . . . . 0.09 109.263 176.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.7 mt -93.81 -37.58 11.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.811 1.291 . . . . 0.09 110.786 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' HG3' ' HD1' ' A' ' 37' ' ' TYR . 17.7 pttt -160.53 146.83 15.29 Favored 'General case' 0 C--O 1.221 -0.446 0 O-C-N 121.442 -0.786 . . . . 0.1 109.766 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.491 HG21 ' HG ' ' A' ' 4' ' ' LEU . 28.1 m -60.97 130.96 49.05 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 125.134 1.521 . . . . 0.1 108.925 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.42 ' HA3' ' CD1' ' A' ' 37' ' ' TYR . . . -163.3 161.97 34.45 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.4 1.063 . . . . 0.07 111.71 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 m -136.65 149.68 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 124.766 1.226 . . . . 0.07 109.864 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 80' ' ' VAL . 16.6 m -128.82 116.34 40.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 106.04 -1.837 . . . . 0.05 106.04 173.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.632 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 59.7 t80 -88.04 114.1 24.32 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 114.932 -1.031 . . . . 0.06 109.152 -177.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 39.3 m -119.91 121.96 40.18 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.747 1.904 . . . . 0.05 110.818 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.553 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . 30.3 tt0 -100.06 126.06 46.22 Favored 'General case' 0 CA--C 1.521 -0.169 0 O-C-N 120.497 -1.377 . . . . 0.09 113.004 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -123.63 86.58 52.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 107.691 -1.225 . . . . 0.08 107.691 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.63 -35.65 93.27 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 122.624 2.216 . . . . 0.09 113.904 -176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -80.84 -12.05 59.49 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.021 0.928 . . . . 0.13 112.752 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.55 154.52 26.97 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-O 123.153 1.418 . . . . 0.09 113.468 175.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.0 t -137.79 121.33 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 106.503 -1.666 . . . . 0.09 106.503 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.879 ' HA ' HD13 ' A' ' 97' ' ' ILE . 4.5 ttt180 -61.59 124.42 20.62 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 107.746 -1.205 . . . . 0.15 107.746 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -127.94 -32.04 2.34 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.233 1.197 . . . . 0.1 114.233 -177.163 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.94 -170.85 47.15 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-O 124.17 1.983 . . . . 0.13 113.341 -177.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -59.31 -49.19 78.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 113.675 -1.263 . . . . 1.99 113.041 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -91.84 167.12 12.37 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 113.824 1.046 . . . . 1.99 113.824 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -68.46 -23.38 64.59 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.744 0.783 . . . . 0.15 112.028 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.502 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 50.3 t0 -75.44 -20.0 59.12 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 126.958 2.103 . . . . 0.12 112.109 177.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -80.49 79.9 7.03 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.818 -1.176 . . . . 0.13 111.331 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.879 HD13 ' HA ' ' A' ' 89' ' ' ARG . 41.7 mm -103.33 133.91 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 124.914 1.285 . . . . 0.1 111.485 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.67 132.07 53.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.167 . . . . 0.06 110.476 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -103.94 -16.59 15.29 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 122.342 1.068 . . . . 0.06 108.699 174.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD22 ' CZ ' ' A' ' 81' ' ' PHE . 72.4 mt -116.92 113.89 23.07 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 114.551 -1.204 . . . . 0.05 107.816 176.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.23 103.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 N-CA-C 106.592 -1.633 . . . . 0.04 106.592 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 76.8 mt -109.36 102.74 14.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 119.529 -0.868 . . . . 0.04 111.016 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.1 125.87 8.44 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 124.911 1.243 . . . . 0.03 110.989 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 34.6 pt -126.95 149.26 31.92 Favored 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-O 125.742 2.687 . . . . 0.07 113.361 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.08 118.05 18.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 104.745 -2.317 . . . . 0.07 104.745 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -128.75 129.31 45.54 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 117.467 -1.693 . . . . 0.09 110.516 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 1.222 ' HE ' ' ND2' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -56.92 148.59 20.67 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.494 -0.928 . . . . 0.15 108.494 178.214 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 1.222 ' ND2' ' HE ' ' A' ' 107' ' ' ARG . 2.5 m120 58.6 29.93 19.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 115.269 1.581 . . . . 0.15 115.269 174.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.578 ' ND2' HG23 ' A' ' 68' ' ' VAL . 92.4 m-20 52.54 34.64 15.98 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 118.658 -2.526 . . . . 1.28 112.957 -176.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -84.76 32.15 0.53 Allowed 'General case' 0 C--N 1.322 -0.621 0 O-C-N 119.917 -1.739 . . . . 0.16 113.473 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -55.16 -38.43 68.29 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 115.328 1.603 . . . . 0.16 115.328 -176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.669 HG21 ' OD1' ' B' ' 414' ' ' ASN . 32.8 mm -63.69 -28.01 44.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 C-N-CA 119.881 -0.728 . . . . 0.16 112.388 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.16 -40.72 77.99 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.082 -1.011 . . . . 0.17 109.859 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.2 -43.32 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 119.651 -0.82 . . . . 0.11 110.432 178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.538 HG21 ' CB ' ' B' ' 392' ' ' ALA . 93.6 mt -59.52 -44.43 93.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.797 0.808 . . . . 0.11 110.487 177.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.4 m -61.63 -42.54 99.03 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.236 -0.915 . . . . 0.24 111.018 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.1 t -63.95 -45.97 86.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 118.419 -0.801 . . . . 0.13 110.291 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.28 -49.39 75.85 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.399 0.518 . . . . 0.11 112.399 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.0 p -67.14 -26.82 66.86 Favored 'General case' 0 CA--C 1.519 -0.23 0 O-C-N 120.886 -1.134 . . . . 0.13 112.399 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -64.44 -38.78 92.22 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 120.039 -1.663 . . . . 1.13 109.351 175.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.81 -15.79 56.75 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.42 -0.8 . . . . 0.13 111.477 177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.8 mt -105.33 26.67 9.13 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.268 1.027 . . . . 0.12 112.994 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 44.5 p-10 -72.19 -13.45 61.55 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 120.916 -1.115 . . . . 1.1 113.497 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -111.24 130.98 55.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.928 0.87 . . . . 0.16 112.113 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -55.13 -35.53 64.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 115.144 1.535 . . . . 0.14 115.144 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 130' ' ' ARG . 60.2 p -66.49 -34.15 77.29 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 118.866 -0.588 . . . . 0.14 111.092 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 70.8 t -66.18 -43.92 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 119.863 -0.735 . . . . 0.13 110.069 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.5 -46.53 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 122.461 1.124 . . . . 0.09 111.62 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.605 ' HA ' ' OE1' ' A' ' 129' ' ' GLU . 7.6 mm-40 -55.65 -47.65 76.3 Favored 'General case' 0 C--N 1.334 -0.1 0 O-C-N 121.274 -0.892 . . . . 0.09 110.961 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.565 ' HG3' HH11 ' A' ' 130' ' ' ARG . 28.4 mmm-85 -61.7 -44.94 95.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.2 0.444 . . . . 0.14 112.2 179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.89 -36.83 85.61 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 112.422 0.527 . . . . 0.09 112.422 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.99 -29.68 70.82 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 115.039 1.496 . . . . 0.07 115.039 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -125.75 0.52 7.42 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 116.048 1.87 . . . . 0.11 116.048 -176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 10.7 t -66.93 145.38 55.5 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.703 0.631 . . . . 0.12 112.703 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 77.8 p -106.23 9.35 32.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 122.951 1.358 . . . . 0.15 109.068 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.7 t -105.09 116.08 31.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 115.821 1.786 . . . . 0.15 115.821 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.53 -42.94 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 122.797 1.284 . . . . 0.14 110.654 176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -56.7 -40.13 75.06 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.529 -0.732 . . . . 0.18 111.155 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.555 ' OE2' ' NH2' ' A' ' 130' ' ' ARG . 34.2 tt0 -63.2 -42.74 99.37 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 120.912 -1.117 . . . . 0.14 109.762 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 88.3 t -56.59 -52.08 57.83 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 115.615 -0.72 . . . . 0.12 109.411 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' A' ' 141' ' ' LEU . 73.6 mt -56.42 -46.27 80.31 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.897 -0.321 . . . . 0.14 111.759 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -56.81 -49.56 75.01 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.456 -0.778 . . . . 0.18 112.464 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.0 mt -67.38 -23.19 65.56 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 114.024 1.12 . . . . 0.14 114.024 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.556 ' O ' ' NH1' ' A' ' 147' ' ' ARG . 96.8 mt -109.24 8.1 25.6 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 118.768 0.713 . . . . 0.13 112.754 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.694 ' HA ' HH12 ' A' ' 147' ' ' ARG . . . -75.37 -25.81 57.98 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 114.572 1.323 . . . . 0.16 114.572 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -81.54 -9.27 85.95 Favored Glycine 0 CA--C 1.518 0.276 0 O-C-N 121.915 -0.49 . . . . 0.17 112.245 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 1.212 ' HD2' ' CZ ' ' A' ' 5' ' ' PHE . 1.1 ptt-85 . . . . . 0 N--CA 1.447 -0.59 0 O-C-N 120.093 -1.828 . . . . 0.15 115.068 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 375' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 121.222 0.534 . . . . 0.2 110.568 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 376' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.9 127.53 55.87 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.638 -0.71 . . . . 0.21 111.722 -178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 377' ' ' VAL . . . . . . . . . . . . . 68.2 t -67.42 111.87 2.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 N-CA-C 109.952 -0.388 . . . . 0.15 109.952 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 378' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.14 -3.03 0.97 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.405 -0.518 . . . . 0.18 111.063 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 379' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -112.49 122.37 47.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.716 0.769 . . . . 0.1 112.116 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 380' ' ' ILE . . . . . . . . . . . . . 65.2 mt -125.09 126.81 71.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.691 0 CA-C-N 114.341 -1.3 . . . . 0.07 109.229 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 381' ' ' ILE . . . . . 0.449 HG22 HG21 ' B' ' 424' ' ' VAL . 17.4 tt -135.03 137.23 50.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.648 -0.705 . . . . 0.06 110.159 -179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 382' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' B' ' 428' ' ' ILE . 75.5 t -105.15 133.04 50.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.151 -0.685 . . . . 0.07 109.151 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . 0.474 ' HB2' HD21 ' B' ' 420' ' ' LEU . . . -125.26 157.09 37.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.518 0.675 . . . . 0.1 111.892 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 384' ' ' SEP . . . . . 0.591 ' O2P' ' N ' ' B' ' 388' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -53.16 -58.91 5.41 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.941 0.4 . . . . 1.62 110.712 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 386' ' ' ALA . . . . . 0.456 ' HB3' ' NE ' ' A' ' 49' ' ' ARG . . . -101.44 -17.91 16.25 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.236 -0.438 . . . . 0.17 110.626 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 387' ' ' GLY . . . . . 0.538 ' N ' ' OG ' ' B' ' 384' ' ' SEP . . . 62.54 32.5 83.45 Favored Glycine 0 C--N 1.333 0.396 0 N-CA-C 110.354 -1.099 . . . . 0.14 110.354 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . 0.591 ' N ' ' O2P' ' B' ' 384' ' ' SEP . 63.2 mtm -136.16 10.62 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.373 -0.531 . . . . 1.22 111.659 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 389' ' ' GLY . . . . . . . . . . . . . . . -130.41 -102.38 0.96 Allowed Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.983 -0.847 . . . . 0.16 110.983 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . 0.453 ' CB ' ' CE1' ' B' ' 452' ' ' PHE . 77.9 p -50.81 -34.74 28.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.611 0.243 . . . . 0.15 111.6 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 391' ' ' SER . . . . . . . . . . . . . 78.1 p -58.15 -32.59 68.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.39 -0.368 . . . . 0.12 110.823 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 392' ' ' ALA . . . . . 0.538 ' CB ' HG21 ' A' ' 115' ' ' ILE . . . -66.71 -43.19 84.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.68 0.276 . . . . 0.14 111.684 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 393' ' ' MET . . . . . . . . . . . . . 53.7 tpp -72.58 -49.21 33.89 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.7 -0.4 . . . . 0.16 111.038 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -51.44 -47.34 51.35 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.575 -1.01 . . . . 0.11 110.575 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . 0.724 ' CB ' HD22 ' B' ' 414' ' ' ASN . . . -59.83 -47.93 83.74 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.284 0.475 . . . . 0.1 112.284 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 396' ' ' GLY . . . . . 0.645 ' O ' ' HG3' ' B' ' 400' ' ' LYS . . . -59.98 -49.31 79.91 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.141 -0.552 . . . . 0.12 112.446 -176.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 397' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.11 -49.2 84.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.682 -0.407 . . . . 0.13 111.183 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 398' ' ' LEU . . . . . . . . . . . . . 27.1 mt -60.4 -44.31 95.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.697 0.761 . . . . 0.1 110.036 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 399' ' ' ARG . . . . . 0.509 ' HB2' HG11 ' B' ' 412' ' ' VAL . 20.4 ttt180 -56.85 -46.41 81.78 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.547 -1.206 . . . . 2.95 111.175 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.645 ' HG3' ' O ' ' B' ' 396' ' ' GLY . 33.6 mttt -61.53 -45.03 95.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.94 -0.573 . . . . 1.76 111.328 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -62.23 -41.96 98.88 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.359 -0.536 . . . . 0.14 110.639 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.536 HD12 HG21 ' B' ' 412' ' ' VAL . 88.9 mt -62.58 -44.77 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.946 -0.57 . . . . 0.15 110.882 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -65.11 -39.79 93.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 0.18 110.161 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -37.09 83.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.704 -0.68 . . . . 0.19 110.525 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' ALA . . . . . . . . . . . . . . . -73.28 0.81 10.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.042 -0.526 . . . . 0.18 111.516 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' GLY . . . . . . . . . . . . . . . 74.92 22.93 76.06 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.432 -0.889 . . . . 0.19 111.387 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' LEU . . . . . . . . . . . . . 41.4 mt -98.32 61.09 1.42 Allowed 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.739 -0.384 . . . . 0.17 110.28 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' SER . . . . . . . . . . . . . 23.8 p -60.98 -15.54 32.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.2 110.316 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 409' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -75.87 -22.33 56.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 0.21 111.019 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 410' ' ' ILE . . . . . . . . . . . . . 89.0 mt -88.07 134.11 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.365 -0.534 . . . . 0.14 109.726 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 2.1 t -108.59 145.88 34.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.974 -0.557 . . . . 0.11 110.66 -178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 412' ' ' VAL . . . . . 0.536 HG21 HD12 ' B' ' 402' ' ' ILE . 12.7 t -131.34 129.0 62.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 121.326 0.584 . . . . 0.09 112.363 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 413' ' ' THR . . . . . . . . . . . . . 7.5 p -147.67 172.82 13.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.943 -1.026 . . . . 0.09 110.48 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' ASN . . . . . 0.724 HD22 ' CB ' ' B' ' 395' ' ' ALA . 2.7 p30 -136.27 152.26 50.53 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.824 -0.436 . . . . 1.38 109.824 178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.21 165.33 17.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.153 -0.476 . . . . 0.09 110.061 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' ALA . . . . . . . . . . . . . . . -64.71 153.97 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.413 -0.358 . . . . 0.12 110.359 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.14 -42.1 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.743 -0.466 . . . . 0.13 109.743 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' ASN . . . . . 0.423 HD22 ' HA ' ' B' ' 418' ' ' ASN . 1.3 m120 -54.69 -19.16 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.875 -0.417 . . . . 0.17 109.875 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -121.36 97.77 5.67 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.582 -0.281 . . . . 0.11 111.45 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' LEU . . . . . 0.474 HD21 ' HB2' ' B' ' 383' ' ' ALA . 95.9 mt -139.72 112.63 7.69 Favored Pre-proline 0 CA--C 1.532 0.274 0 N-CA-C 109.177 -0.675 . . . . 0.11 109.177 175.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -59.95 136.64 70.94 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 120.977 1.118 . . . . 0.11 111.465 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -61.52 -17.89 56.52 Favored 'Trans proline' 0 N--CA 1.489 1.263 0 C-N-CA 121.605 1.537 . . . . 0.14 112.577 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . 0.459 ' N ' ' OD1' ' B' ' 423' ' ' ASP . 1.5 m-20 -81.78 -5.01 57.8 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.278 -0.569 . . . . 0.14 111.594 -177.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' VAL . . . . . 0.449 HG21 HG22 ' B' ' 381' ' ' ILE . 8.2 p -63.58 138.07 23.61 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 C-N-CA 120.632 -0.427 . . . . 0.11 110.409 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -94.11 -40.57 9.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.889 -0.596 . . . . 0.12 111.118 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 426' ' ' LEU . . . . . . . . . . . . . 40.2 mt -124.06 132.87 53.72 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.088 0.471 . . . . 0.08 111.087 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 427' ' ' VAL . . . . . . . . . . . . . 53.9 t -123.24 128.22 74.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.477 -0.783 . . . . 0.07 109.233 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 428' ' ' ILE . . . . . 0.448 ' HB ' HG22 ' B' ' 382' ' ' VAL . 83.3 mt -120.39 116.82 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.426 -0.352 . . . . 0.06 110.513 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 429' ' ' THR . . . . . . . . . . . . . 1.7 p -142.7 171.83 13.51 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.253 0.549 . . . . 0.1 110.629 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 430' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -73.27 137.03 44.65 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.816 -0.629 . . . . 0.15 109.487 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 431' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -44.24 -33.31 1.52 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.868 -0.606 . . . . 0.16 111.978 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 432' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -22.71 66.95 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.002 -0.679 . . . . 2.05 110.995 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . . . . . . . . . 27.6 mt -119.9 2.39 11.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 120.537 -0.465 . . . . 0.33 111.813 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 434' ' ' THR . . . . . 0.412 HG21 ' CB ' ' B' ' 448' ' ' SER . 3.1 p -62.88 -33.25 74.89 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.256 -0.577 . . . . 0.14 110.91 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 435' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.69 -44.23 85.69 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.317 -0.553 . . . . 0.2 109.837 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 436' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -60.92 -47.99 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.855 -0.612 . . . . 0.2 111.658 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.29 96.98 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.395 -0.522 . . . . 0.13 110.675 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 438' ' ' MET . . . . . 0.576 ' O ' ' N ' ' B' ' 442' ' ' PRO . 44.4 mtt -56.24 -39.99 73.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.918 -0.771 . . . . 0.16 108.918 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 439' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -46.23 83.16 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.737 -1.119 . . . . 0.23 111.908 -175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 440' ' ' GLN . . . . . 0.444 ' OE1' HD12 ' B' ' 420' ' ' LEU . 55.4 tt0 -60.97 -43.17 99.17 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.522 -0.918 . . . . 0.15 108.522 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 441' ' ' VAL . . . . . . . . . . . . . 2.1 m -140.94 86.57 11.56 Favored Pre-proline 0 N--CA 1.447 -0.607 0 CA-C-N 115.16 -0.927 . . . . 0.14 109.156 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 442' ' ' PRO . . . . . 0.576 ' N ' ' O ' ' B' ' 438' ' ' MET . 40.0 Cg_endo -78.15 -6.14 15.54 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.109 1.873 . . . . 0.18 109.478 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 443' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -90.19 -9.38 48.38 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.921 -1.036 . . . . 0.2 109.86 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 444' ' ' ALA . . . . . . . . . . . . . . . -88.58 169.75 11.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.597 -0.728 . . . . 0.14 110.406 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 445' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -93.67 125.56 38.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.669 -0.493 . . . . 0.13 109.669 176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 446' ' ' HIS . . . . . 0.414 ' NE2' ' HA ' ' B' ' 438' ' ' MET . 97.8 m-70 -118.42 137.49 53.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 0.12 110.777 -176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 447' ' ' ILE . . . . . . . . . . . . . 48.0 mm -123.13 128.44 75.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.316 -0.994 . . . . 0.07 108.316 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 448' ' ' SER . . . . . 0.412 ' CB ' HG21 ' B' ' 434' ' ' THR . 5.6 p -101.6 139.7 36.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.363 0.601 . . . . 0.1 111.696 -176.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 83.5 mt -105.02 167.08 9.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.947 -1.024 . . . . 0.11 109.056 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 450' ' ' THR . . . . . . . . . . . . . 18.6 p -117.29 -39.99 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.024 -0.362 . . . . 0.15 110.024 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 451' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -135.01 153.39 52.1 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.309 0.576 . . . . 1.7 110.58 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 452' ' ' PHE . . . . . 0.453 ' CE1' ' CB ' ' B' ' 390' ' ' SER . 37.5 m-85 -63.09 -38.36 90.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.064 -0.971 . . . . 0.18 112.242 -177.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 453' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' B' ' 455' ' ' SER . 13.3 tp -108.13 21.01 17.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.188 -0.605 . . . . 0.18 111.263 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 454' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -61.94 79.2 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.577 -0.449 . . . . 0.13 110.303 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 455' ' ' SER . . . . . 0.472 ' N ' ' O ' ' B' ' 453' ' ' LEU . 66.9 p -59.54 -35.36 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.13 111.743 -178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 456' ' ' GLY . . . . . . . . . . . . . . . -60.28 -48.45 86.08 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.91 -0.876 . . . . 0.11 110.91 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 457' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 457' ' ' LEU . 74.3 mt -63.07 -45.35 92.6 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.347 -0.541 . . . . 0.09 110.533 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 458' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -59.14 -45.05 91.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.431 -0.507 . . . . 0.09 110.729 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 459' ' ' THR . . . . . . . . . . . . . 97.8 m -61.61 -46.47 89.71 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.581 -0.448 . . . . 0.1 110.69 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 41.2 m -60.41 -44.92 95.26 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.942 0.401 . . . . 0.07 111.363 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 461' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.27 -42.25 99.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.06 110.454 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 462' ' ' THR . . . . . . . . . . . . . 35.0 m -61.45 -47.35 86.09 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.024 -0.535 . . . . 0.1 111.43 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -58.25 -39.33 78.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.316 0.579 . . . . 0.11 109.619 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 464' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -64.54 -45.84 85.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.278 -0.873 . . . . 0.11 112.224 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 465' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.51 -40.31 96.72 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.523 -0.547 . . . . 0.12 109.523 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 466' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.8 -45.69 94.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.878 -0.601 . . . . 0.15 109.406 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 467' ' ' ALA . . . . . . . . . . . . . . . -60.99 -40.95 95.47 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.16 110.518 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 468' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' B' ' 471' ' ' HIS . . . -71.84 -25.44 61.97 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.512 -0.313 . . . . 0.16 111.109 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 469' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -67.41 -48.63 66.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.861 0.362 . . . . 0.18 110.586 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 470' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.09 -62.73 1.38 Allowed 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 108.561 -0.903 . . . . 0.21 108.561 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 471' ' ' HIS . . . . . 0.57 ' O ' ' O ' ' B' ' 468' ' ' ALA . 2.1 m170 . . . . . 0 N--CA 1.425 -1.721 0 N-CA-C 106.026 -1.842 . . . . 0.21 106.026 174.341 . . . . . . . . 1 1 . 1 stop_ save_