data_1wcr_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 1wcr _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 ' 1' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.994 -0.743 . . . . 5.67 108.994 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -25.19 -89.42 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.059 0.85 . . . . 5.71 111.868 -178.209 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -62.77 -59.79 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 3.25 110.851 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.2 mt -43.9 -42.45 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.365 -0.38 . . . . 1.37 110.943 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 1' ' ' ALA . 41.0 tt0 -69.43 -45.94 67.96 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.194 0.521 . . . . 2.39 110.358 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -69.26 -34.68 75.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.532 -0.758 . . . . 2.4 109.925 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 63.1 t -64.84 -41.38 92.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 1.14 110.544 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.2 t -60.97 -44.01 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 1.1 109.929 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 32.5 ttm -58.09 -42.51 85.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.444 -0.576 . . . . 2.05 109.444 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.27 -43.54 98.32 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.3 -1.12 . . . . 0.35 110.3 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.4 -43.37 97.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.634 0.254 . . . . 1.12 110.741 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.2 -44.69 99.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.802 -0.444 . . . . 1.11 109.802 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.83 -44.57 98.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.076 -0.511 . . . . 1.15 110.128 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -61.44 -46.21 91.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.007 -0.542 . . . . 2.32 109.71 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 p -60.15 -43.37 95.81 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.742 -0.466 . . . . 1.72 109.742 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.11 -43.02 99.34 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.574 -1.01 . . . . 0.35 110.574 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -63.45 -39.86 95.59 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.557 -0.457 . . . . 3.08 109.787 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.41 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 1.11 109.894 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -60.53 -46.33 90.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.452 -0.573 . . . . 3.43 109.452 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.67 -47.38 70.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 1.92 110.451 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.92 -42.29 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 1.15 109.868 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.4 73.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.149 -0.478 . . . . 1.11 110.796 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -58.83 -41.54 87.1 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 119.986 -0.686 . . . . 1.26 110.098 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.59 92.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.704 -0.48 . . . . 1.08 109.704 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.22 90.67 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.48 -0.563 . . . . 1.08 109.48 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.4 -43.94 98.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.647 -0.706 . . . . 1.14 109.835 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.25 -41.05 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.094 0.473 . . . . 2.58 110.093 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -58.73 -42.03 87.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.249 -0.432 . . . . 2.43 109.911 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.44 94.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.865 -0.607 . . . . 1.07 110.222 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.06 -32.01 71.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 2.24 110.397 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.0 -1.65 44.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.534 -0.466 . . . . 2.83 110.225 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.41 18.55 62.09 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.852 -0.499 . . . . 0.35 111.852 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -101.1 81.7 2.27 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.835 0.317 . . . . 1.4 111.143 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 103' ' ' ALA . 63.1 m-85 -66.58 -33.84 76.56 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.644 0.239 . . . . 0.67 111.644 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.7 75.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 1.1 110.801 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.81 83.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 1.09 110.459 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.02 75.28 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.296 -0.562 . . . . 1.08 109.66 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -57.63 -45.05 85.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.486 -0.324 . . . . 3.35 111.183 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.07 99.59 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.553 -0.459 . . . . 1.08 110.575 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 76.1 mmm -65.25 -41.22 94.5 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.878 -0.601 . . . . 1.95 110.688 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.436 ' HB3' HH21 ' A' ' 88' ' ' ARG . 8.1 mtm -62.47 -43.43 98.82 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.341 -0.543 . . . . 2.9 111.289 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.4 -45.86 92.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.87 -0.605 . . . . 1.95 109.941 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -65.92 -39.51 90.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.741 -0.663 . . . . 2.78 110.515 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -46.31 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.531 -0.468 . . . . 1.81 109.854 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 14.2 ttt180 -61.92 -42.83 99.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 3.71 111.148 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -40.41 93.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 2.99 110.081 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.63 98.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.827 -0.624 . . . . 1.07 109.937 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.39 -41.62 89.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.162 -0.472 . . . . 1.24 111.035 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.55 -44.33 96.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.729 -0.669 . . . . 2.5 109.855 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.67 -40.05 92.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 1.92 109.971 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.94 -45.77 84.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 1.07 110.229 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.501 ' O ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -61.42 -39.58 91.27 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.169 -0.469 . . . . 2.23 110.643 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.25 -42.57 98.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 1.25 110.466 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -64.13 -43.67 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.12 110.103 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.52 -40.3 96.32 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.492 -0.483 . . . . 2.94 110.135 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -57.82 -45.41 86.21 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 110.246 -0.279 . . . . 1.9 110.246 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -60.01 -41.04 91.29 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 109.255 -0.646 . . . . 3.37 109.255 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 62' ' ' ASP . 90.9 mt -61.49 -61.35 2.59 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.509 -0.876 . . . . 1.14 108.734 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.414 HD11 HG22 ' A' ' 59' ' ' ILE . 97.4 mt -53.02 -39.37 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.517 0.562 . . . . 1.34 112.517 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -79.74 -49.32 12.22 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.054 -0.658 . . . . 2.53 111.85 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.47 3.36 59.47 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 120.745 -0.741 . . . . 2.32 113.337 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.62 ' CB ' ' O ' ' A' ' 58' ' ' LEU . 3.3 t70 -65.83 -86.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 117.947 0.874 . . . . 4.35 111.277 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 62' ' ' ASP . . . -27.21 107.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.713 -1.13 . . . . 5.56 111.537 -176.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.9 -52.8 50.09 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 109.847 -1.301 . . . . 5.83 109.847 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -99.62 143.85 29.38 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.436 0.636 . . . . 7.54 111.735 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . 19.1 -108.85 0.01 OUTLIER Glycine 0 CA--C 1.538 1.496 0 CA-C-N 114.741 -1.118 . . . . 5.35 115.536 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' A' ' 66' ' ' GLY . 11.4 mtmm -17.32 142.51 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.301 1.223 . . . . 7.67 114.301 -173.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.68 ' O ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -100.6 -24.21 14.5 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.065 -0.97 . . . . 6.84 111.305 -179.128 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.68 ' O ' ' O ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -17.51 -125.49 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.37 1.068 . . . . 6.03 113.189 -178.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.497 ' H ' ' HB3' ' A' ' 69' ' ' LYS . 13.7 m -153.24 -175.16 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 107.742 -1.207 . . . . 2.63 107.742 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.536 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 19.2 p -133.37 162.97 30.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.478 -0.564 . . . . 1.15 109.478 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.15 -46.64 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.582 -0.895 . . . . 2.38 108.582 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.01 -47.65 92.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.755 -1.111 . . . . 1.5 112.498 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.536 ' H ' ' HG ' ' A' ' 71' ' ' SER . 70.0 mt -64.19 -39.81 94.76 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.956 0.408 . . . . 1.68 111.178 -177.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.23 -45.78 88.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.57 -0.9 . . . . 1.14 108.57 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.474 ' CE1' ' NE2' ' A' ' 80' ' ' HIS . 42.0 t-80 -57.14 -45.91 83.15 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.379 -0.529 . . . . 1.92 110.305 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.86 97.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.355 -0.384 . . . . 1.25 110.667 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.62 -40.03 95.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 2.5 109.673 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.1 -48.36 78.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.849 -0.614 . . . . 1.07 110.566 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.474 ' NE2' ' CE1' ' A' ' 76' ' ' HIS . 93.7 m-70 -66.56 -46.59 75.53 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.187 -0.605 . . . . 1.91 110.907 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.54 -45.15 91.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 1.23 111.363 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 81.6 mmm -62.58 -43.78 97.95 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.865 0.364 . . . . 2.13 110.081 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.9 p -63.42 -47.39 82.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.814 -0.63 . . . . 1.17 110.44 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 m -62.18 -48.04 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 1.89 111.323 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.2 ttp -59.92 -45.87 91.21 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.769 -0.372 . . . . 2.41 110.372 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -62.71 -46.11 89.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.485 . . . . 1.3 110.116 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.49 74.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.475 -0.784 . . . . 1.06 109.704 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.436 HH21 ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -60.98 -44.7 96.99 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.821 -1.081 . . . . 4.09 110.954 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.51 -45.6 93.52 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.228 -0.589 . . . . 2.21 110.883 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -65.22 -41.53 94.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 1.19 110.542 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.74 -39.58 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 1.14 109.66 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.3 m -57.46 -45.36 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.969 -0.382 . . . . 1.13 109.969 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -61.5 -43.04 99.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 2.05 109.75 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 23.8 mt -60.8 -42.23 97.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.958 -0.565 . . . . 1.1 109.916 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.51 -42.9 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.463 -0.335 . . . . 1.11 110.785 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.33 -38.82 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.822 -0.351 . . . . 1.97 110.088 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.0 mt -62.18 -41.26 98.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.81 -0.356 . . . . 1.1 110.344 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.407 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 75.0 m80 -58.68 -39.23 80.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.798 -0.445 . . . . 1.76 109.798 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.58 -41.94 95.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 1.52 110.676 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.18 -36.15 83.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.544 -0.298 . . . . 2.3 110.803 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 11.5 mt -62.2 -43.14 99.5 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 119.477 -0.297 . . . . 1.11 111.245 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER 147.86 -96.46 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.547 0.739 . . . . 6.17 109.436 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.578 ' O ' ' CZ ' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-N 115.233 -0.894 . . . . 4.9 111.604 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 108.979 -0.749 . . . . 5.67 108.979 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' B' ' 1' ' ' ALA . 0.6 OUTLIER -25.38 -89.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.056 0.847 . . . . 5.71 111.845 -178.174 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -62.78 -59.5 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 3.24 110.914 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 63.5 mt -44.2 -42.46 6.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 1.37 110.948 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 1' ' ' ALA . 40.8 tt0 -69.48 -45.87 67.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.107 0.48 . . . . 2.39 110.325 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -69.2 -34.76 75.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.565 -0.743 . . . . 2.4 109.961 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.82 -41.42 92.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.909 -0.587 . . . . 1.14 110.521 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.5 t -60.93 -43.98 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 1.1 109.942 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 32.6 ttm -58.04 -42.67 85.87 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.385 -0.598 . . . . 2.05 109.385 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.56 98.52 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.371 -1.092 . . . . 0.35 110.371 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.46 -43.32 97.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.608 0.242 . . . . 1.12 110.773 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.21 -44.66 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.803 -0.443 . . . . 1.11 109.803 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.82 -44.63 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.524 . . . . 1.15 110.113 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -61.37 -46.17 91.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 2.32 109.722 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.9 p -60.21 -43.44 95.97 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.774 -0.454 . . . . 1.72 109.774 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.04 99.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.618 -0.993 . . . . 0.35 110.618 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -63.58 -39.35 94.16 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.767 -0.457 . . . . 3.08 109.767 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.11 -50.51 72.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 1.11 109.916 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -60.96 -45.95 92.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.474 -0.565 . . . . 3.43 109.474 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -47.39 70.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.92 110.43 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.95 -42.37 99.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.14 109.921 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.27 74.43 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.095 -0.502 . . . . 1.11 110.846 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -58.81 -41.57 87.1 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.97 -0.692 . . . . 1.26 110.07 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.55 92.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.692 -0.484 . . . . 1.08 109.692 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.3 90.39 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.515 -0.55 . . . . 1.08 109.515 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.42 -43.93 98.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.592 -0.731 . . . . 1.14 109.812 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.28 -40.99 78.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 2.59 110.074 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -58.77 -41.99 87.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.991 0.424 . . . . 2.43 109.91 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.44 94.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.892 -0.594 . . . . 1.07 110.274 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.04 -31.99 71.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 2.24 110.404 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.99 -1.66 44.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.516 -0.474 . . . . 2.83 110.224 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 18.53 62.07 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.81 -0.516 . . . . 0.35 111.81 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -101.16 81.73 2.26 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.791 0.296 . . . . 1.4 111.169 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' B' ' 103' ' ' ALA . 63.2 m-85 -66.58 -33.81 76.49 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.645 0.239 . . . . 0.67 111.645 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.71 74.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.818 0.342 . . . . 1.1 110.824 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.78 83.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.168 -0.469 . . . . 1.09 110.425 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.21 -50.06 75.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.295 -0.562 . . . . 1.08 109.642 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -57.66 -45.13 85.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.481 -0.327 . . . . 3.35 111.165 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.24 99.24 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.544 -0.462 . . . . 1.08 110.651 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 76.4 mmm -65.13 -41.24 95.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.831 -0.622 . . . . 1.95 110.639 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.433 ' HB3' HH21 ' B' ' 88' ' ' ARG . 8.2 mtm -62.48 -43.43 98.83 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.394 -0.522 . . . . 2.9 111.292 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.37 -45.81 92.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.84 -0.618 . . . . 1.95 109.946 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -65.91 -39.58 90.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 2.78 110.527 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -46.28 84.62 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.51 -0.476 . . . . 1.81 109.895 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.408 ' HB2' ' NH1' ' B' ' 88' ' ' ARG . 14.4 ttt180 -61.93 -42.84 99.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.965 -0.562 . . . . 3.71 111.132 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -40.5 93.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 2.99 110.119 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.6 98.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 1.07 109.94 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -66.56 -41.65 88.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 1.24 110.988 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.55 -44.22 96.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.883 -0.599 . . . . 2.5 109.886 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.58 -39.99 92.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 1.92 109.985 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.18 -45.57 84.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 1.07 110.223 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.5 ' O ' ' OG1' ' B' ' 56' ' ' THR . 0.5 OUTLIER -61.39 -39.6 91.27 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.226 -0.443 . . . . 2.22 110.625 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.27 -42.6 98.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 1.25 110.445 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.0 t -64.03 -43.67 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 1.12 110.17 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.57 -40.26 96.31 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.482 -0.487 . . . . 2.94 110.121 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' B' ' 52' ' ' HIS . 0.2 OUTLIER -57.7 -45.52 85.59 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.257 -0.275 . . . . 1.9 110.257 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -60.01 -41.1 91.41 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.27 -0.641 . . . . 3.37 109.27 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.618 ' O ' ' CB ' ' B' ' 62' ' ' ASP . 91.1 mt -61.42 -61.12 2.76 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 108.691 -0.855 . . . . 1.14 108.691 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.409 HG22 HD11 ' B' ' 59' ' ' ILE . 97.3 mt -53.24 -39.3 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.48 0.548 . . . . 1.34 112.48 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -80.07 -48.72 12.81 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.037 -0.665 . . . . 2.53 111.915 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.91 3.89 58.91 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 120.806 -0.711 . . . . 2.32 113.433 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.618 ' CB ' ' O ' ' B' ' 58' ' ' LEU . 3.6 t70 -66.9 -87.65 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.925 0.862 . . . . 4.35 111.338 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.482 ' N ' ' CG ' ' B' ' 62' ' ' ASP . . . -28.66 103.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.746 -1.115 . . . . 5.56 111.505 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.1 -54.87 31.18 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 109.796 -1.321 . . . . 5.83 109.796 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' B' ' 66' ' ' GLY . 41.3 mt-10 -92.41 144.96 24.85 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.492 0.663 . . . . 7.54 111.51 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . 13.49 -106.59 0.01 OUTLIER Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.766 -1.106 . . . . 5.35 115.671 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.499 ' O ' ' O ' ' B' ' 66' ' ' GLY . 14.4 mtmm -17.36 143.47 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.456 1.28 . . . . 7.66 114.456 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' MET . . . . . 0.677 ' O ' ' O ' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -101.12 -25.25 14.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.918 -1.037 . . . . 6.84 111.354 -179.045 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.677 ' O ' ' O ' ' B' ' 68' ' ' MET . 0.0 OUTLIER -17.54 -125.35 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.182 0.993 . . . . 6.03 113.108 -178.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.49 ' H ' ' HB3' ' B' ' 69' ' ' LYS . 12.7 m -153.32 -174.89 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 107.636 -1.246 . . . . 2.63 107.636 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.559 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 18.7 p -133.36 163.19 29.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.546 -0.538 . . . . 1.15 109.546 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.79 -47.21 20.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.565 -0.902 . . . . 2.38 108.565 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.11 -47.47 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 114.703 -1.135 . . . . 1.51 112.592 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.559 ' H ' ' HG ' ' B' ' 71' ' ' SER . 68.8 mt -64.1 -39.7 94.62 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.938 0.399 . . . . 1.68 111.181 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.25 -46.0 88.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.535 -0.913 . . . . 1.14 108.535 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' HIS . . . . . 0.478 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 41.9 t-80 -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.408 -0.517 . . . . 1.92 110.331 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.09 -40.78 96.97 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.919 0.39 . . . . 1.25 110.653 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.6 -40.02 95.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 2.5 109.617 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.16 -48.42 78.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.806 -0.634 . . . . 1.07 110.512 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.478 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 93.7 m-70 -66.47 -46.66 75.62 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.234 -0.586 . . . . 1.92 110.85 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.53 -45.18 91.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.437 -0.347 . . . . 1.23 111.344 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 81.6 mmm -62.6 -43.82 97.86 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 110.051 -0.351 . . . . 2.12 110.051 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 10.9 p -63.35 -47.46 82.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.799 -0.637 . . . . 1.17 110.447 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.2 m -62.16 -48.05 81.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 1.89 111.305 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 22.0 ttp -59.87 -45.84 91.2 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.875 0.369 . . . . 2.41 110.334 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 tp -62.84 -46.02 89.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 1.3 110.119 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.72 -49.44 75.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.602 -0.726 . . . . 1.06 109.659 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.433 HH21 ' HB3' ' B' ' 41' ' ' MET . 0.1 OUTLIER -60.92 -44.72 96.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.776 -1.102 . . . . 4.09 110.969 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.49 -45.58 93.61 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.224 -0.591 . . . . 2.21 110.94 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -65.28 -41.54 94.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.96 0.409 . . . . 1.19 110.504 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.7 -39.49 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.539 . . . . 1.14 109.746 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 53.8 m -57.47 -45.32 84.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 1.13 109.979 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -61.5 -43.09 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 2.05 109.706 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.8 -42.26 97.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.973 -0.558 . . . . 1.1 109.939 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.432 HD11 HG22 ' B' ' 95' ' ' ILE . 84.4 mt -62.49 -42.85 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.455 -0.339 . . . . 1.11 110.822 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.46 -38.85 78.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.03 -0.359 . . . . 1.97 110.03 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.13 -41.31 98.12 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.851 -0.34 . . . . 1.1 110.362 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -58.55 -39.39 80.1 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.736 -0.468 . . . . 1.76 109.736 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.37 -42.05 96.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 1.52 110.67 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.43 -35.74 81.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.55 -0.295 . . . . 2.3 110.796 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' B' ' 102' ' ' LYS . 11.2 mt -61.82 -40.84 96.69 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 119.005 -0.521 . . . . 1.11 111.362 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.517 ' HZ1' ' CB ' ' B' ' 102' ' ' LYS . 0.0 OUTLIER 144.06 -99.73 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 O-C-N 124.128 0.892 . . . . 6.16 109.645 178.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.582 ' O ' ' CZ ' ' B' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.452 0 CA-C-N 115.258 -0.883 . . . . 4.9 111.591 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' C' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.979 -0.749 . . . . 5.67 108.979 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' C' ' 1' ' ' ALA . 0.6 OUTLIER -25.17 -89.44 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.986 0.804 . . . . 5.71 111.933 -178.231 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' C' ' 7' ' ' VAL . 9.2 mt-10 -62.86 -59.37 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 3.24 110.943 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 63.9 mt -44.26 -42.45 6.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.396 -0.366 . . . . 1.37 110.917 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' C' ' 1' ' ' ALA . 40.8 tt0 -69.4 -45.89 68.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.203 0.525 . . . . 2.39 110.361 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -69.27 -34.63 75.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.541 -0.754 . . . . 2.4 109.865 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' C' ' 3' ' ' GLU . 63.7 t -64.96 -41.34 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.955 -0.566 . . . . 1.14 110.54 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.9 t -60.92 -43.97 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 1.1 109.953 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 32.3 ttm -58.12 -42.65 86.23 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.465 -0.569 . . . . 2.05 109.465 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.21 -43.51 98.46 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.345 -1.102 . . . . 0.35 110.345 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.38 -43.41 97.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.633 0.254 . . . . 1.12 110.733 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.19 -44.6 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.85 -0.426 . . . . 1.11 109.85 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.87 -44.6 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.505 . . . . 1.15 110.117 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -61.33 -46.25 91.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.547 . . . . 2.32 109.718 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 12.1 p -60.16 -43.29 95.9 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.838 -0.43 . . . . 1.72 109.838 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.23 -43.06 99.11 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.627 -0.989 . . . . 0.35 110.627 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -63.47 -39.72 95.22 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.721 -0.474 . . . . 3.07 109.721 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.46 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 1.11 109.916 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.53 -46.13 91.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.471 -0.566 . . . . 3.43 109.471 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -47.37 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 1.92 110.435 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.91 -42.33 99.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 1.14 109.89 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -50.32 74.26 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.18 -0.464 . . . . 1.11 110.828 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -58.87 -41.58 87.4 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.032 -0.667 . . . . 1.26 110.103 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.45 92.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.66 -0.496 . . . . 1.08 109.66 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.2 90.62 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.487 -0.56 . . . . 1.08 109.487 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.42 -43.95 97.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 1.14 109.83 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.25 -41.04 78.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.25 -0.432 . . . . 2.59 110.058 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -58.79 -41.93 87.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 2.43 109.937 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.43 94.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.894 -0.593 . . . . 1.07 110.254 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.01 -31.93 71.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.306 -0.406 . . . . 2.24 110.388 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.1 -1.51 44.56 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.466 -0.493 . . . . 2.83 110.241 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.37 18.55 62.17 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.784 -0.526 . . . . 0.35 111.784 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -101.19 81.49 2.23 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.65 -0.324 . . . . 1.4 111.14 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' C' ' 103' ' ' ALA . 65.6 m-85 -66.49 -33.9 76.73 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.622 0.23 . . . . 0.67 111.622 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -49.84 74.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 1.1 110.779 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.75 83.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 1.09 110.392 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.19 -49.86 75.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.31 -0.556 . . . . 1.08 109.679 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -57.9 -45.06 87.05 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.51 -0.314 . . . . 3.35 111.176 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.91 -43.01 99.72 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.6 -0.44 . . . . 1.08 110.681 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 77.0 mmm -65.26 -41.04 94.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.834 -0.621 . . . . 1.95 110.679 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.437 ' HB3' HH21 ' C' ' 88' ' ' ARG . 9.8 mtm -63.15 -43.09 99.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.37 -0.532 . . . . 2.9 111.265 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -60.24 -45.88 91.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.983 -0.553 . . . . 1.95 109.808 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -65.88 -39.61 90.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 2.78 110.617 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -46.39 84.34 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.496 -0.482 . . . . 1.81 109.875 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' C' ' 88' ' ' ARG . 14.1 ttt180 -61.92 -42.77 99.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 3.71 111.091 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -40.52 93.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 3.0 110.037 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.54 98.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.829 -0.623 . . . . 1.07 109.951 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.39 -41.72 88.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.156 -0.475 . . . . 1.24 111.006 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.46 -44.33 95.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.801 -0.636 . . . . 2.5 109.915 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.69 -39.98 91.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.995 -0.548 . . . . 1.93 109.93 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.72 84.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.569 . . . . 1.08 110.216 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.494 ' O ' ' OG1' ' C' ' 56' ' ' THR . 0.5 OUTLIER -61.34 -39.6 91.17 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.202 -0.454 . . . . 2.23 110.687 179.69 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.31 -42.52 98.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 1.25 110.455 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.12 -43.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.12 110.131 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -62.56 -40.21 96.12 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.451 -0.5 . . . . 2.94 110.172 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' C' ' 52' ' ' HIS . 0.2 OUTLIER -57.77 -45.45 85.95 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.271 -0.27 . . . . 1.9 110.271 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -60.08 -41.19 91.91 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.253 -0.647 . . . . 3.37 109.253 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.615 ' O ' ' CB ' ' C' ' 62' ' ' ASP . 90.2 mt -61.23 -61.28 2.67 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 119.626 -0.83 . . . . 1.14 108.818 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.42 HG22 HD11 ' C' ' 59' ' ' ILE . 97.3 mt -53.14 -39.35 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 112.399 0.518 . . . . 1.34 112.399 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -80.05 -48.8 12.71 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.042 -0.663 . . . . 2.53 111.882 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.81 3.83 59.07 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 120.779 -0.724 . . . . 2.32 113.384 -176.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.615 ' CB ' ' O ' ' C' ' 58' ' ' LEU . 3.5 t70 -66.6 -87.74 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.922 0.861 . . . . 4.35 111.32 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' C' ' 62' ' ' ASP . . . -29.11 104.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.839 -1.073 . . . . 5.56 111.404 -176.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.5 -53.29 44.52 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 109.778 -1.329 . . . . 5.83 109.778 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' C' ' 66' ' ' GLY . 40.3 mt-10 -92.89 144.1 25.6 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.456 0.646 . . . . 7.55 111.497 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . 13.71 -106.7 0.01 OUTLIER Glycine 0 CA--C 1.54 1.6 0 CA-C-N 114.736 -1.12 . . . . 5.35 115.69 178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' C' ' 66' ' ' GLY . 15.6 mtmm -17.37 143.32 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.493 1.294 . . . . 7.66 114.493 -173.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' MET . . . . . 0.682 ' O ' ' O ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -100.6 -25.54 14.13 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.903 -1.044 . . . . 6.84 111.406 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.682 ' O ' ' O ' ' C' ' 68' ' ' MET . 0.0 OUTLIER -17.16 -125.93 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.343 1.057 . . . . 6.03 113.174 -178.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.452 ' H ' ' HB3' ' C' ' 69' ' ' LYS . 13.0 m -152.9 -175.11 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 107.66 -1.237 . . . . 2.63 107.66 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.553 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 19.7 p -132.89 163.08 29.92 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.441 -0.578 . . . . 1.14 109.441 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.07 -46.87 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.613 -0.884 . . . . 2.38 108.613 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.04 -47.55 93.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.739 -1.119 . . . . 1.51 112.577 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.553 ' H ' ' HG ' ' C' ' 71' ' ' SER . 69.5 mt -64.06 -39.58 94.38 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.013 0.435 . . . . 1.68 111.154 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.21 -45.93 88.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.586 -0.894 . . . . 1.14 108.586 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' HIS . . . . . 0.472 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 41.9 t-80 -57.12 -45.9 83.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.364 -0.535 . . . . 1.92 110.348 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.85 97.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.911 0.386 . . . . 1.25 110.669 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.55 -39.99 95.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 2.49 109.628 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.19 -48.4 78.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.846 -0.615 . . . . 1.07 110.496 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.472 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 93.7 m-70 -66.57 -46.57 75.56 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.266 -0.574 . . . . 1.91 110.882 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.58 -45.12 91.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.428 -0.351 . . . . 1.23 111.361 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 81.7 mmm -62.57 -43.89 97.7 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 110.044 -0.354 . . . . 2.12 110.044 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 11.0 p -63.3 -47.42 82.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.851 -0.613 . . . . 1.17 110.482 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.5 m -62.2 -48.1 81.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 1.89 111.289 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 21.8 ttp -59.79 -45.88 90.93 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.878 0.371 . . . . 2.41 110.34 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.9 -46.0 89.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.084 -0.507 . . . . 1.3 110.185 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.67 -49.43 75.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.725 . . . . 1.06 109.596 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.437 HH21 ' HB3' ' C' ' 41' ' ' MET . 0.1 OUTLIER -60.97 -44.68 96.99 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.788 -1.096 . . . . 4.08 111.005 -178.568 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.55 -45.59 93.53 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.208 -0.597 . . . . 2.21 110.87 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.26 -41.54 94.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.974 0.416 . . . . 1.19 110.511 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.64 -39.47 79.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 1.14 109.693 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 54.6 m -57.57 -45.33 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 1.13 109.956 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -61.47 -43.02 99.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 2.05 109.717 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.406 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 23.9 mt -60.86 -42.29 97.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.559 . . . . 1.09 109.886 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.404 HD11 HG22 ' C' ' 95' ' ' ILE . 84.0 mt -62.47 -42.96 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.45 -0.341 . . . . 1.11 110.777 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.25 -38.96 77.93 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.945 -0.391 . . . . 1.97 109.945 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.3 -41.1 98.24 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.779 -0.368 . . . . 1.1 110.281 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 74.2 m80 -58.6 -39.55 80.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.733 -0.469 . . . . 1.76 109.733 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.23 -42.45 96.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 1.52 110.358 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.66 -32.1 73.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.841 -0.343 . . . . 2.3 110.093 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' C' ' 102' ' ' LYS . 14.2 mt -75.29 12.7 0.88 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.319 0.859 . . . . 1.11 113.319 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' C' ' 101' ' ' LEU . 0.0 OUTLIER 87.88 -109.35 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.314 0.645 . . . . 6.16 110.847 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' C' ' 102' ' ' LYS . . . . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 118.62 -0.705 . . . . 4.9 111.196 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.994 -0.743 . . . . 5.37 108.994 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -25.19 -89.42 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.059 0.85 . . . . 5.71 111.868 -178.209 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 7' ' ' VAL . 9.4 mt-10 -62.77 -59.79 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 3.25 110.851 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 8' ' ' VAL . 63.2 mt -43.9 -42.45 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.365 -0.38 . . . . 0.83 110.943 -177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 41.0 tt0 -69.43 -45.94 67.96 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.194 0.521 . . . . 2.39 110.358 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -69.26 -34.68 75.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.532 -0.758 . . . . 2.4 109.925 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 3' ' ' GLU . 63.1 t -64.84 -41.38 92.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.43 110.544 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 4' ' ' LEU . 82.2 t -60.97 -44.01 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.33 109.929 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 32.5 ttm -58.09 -42.51 85.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.444 -0.576 . . . . 1.57 109.444 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.27 -43.54 98.32 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.3 -1.12 . . . . 0.32 110.3 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.4 -43.37 97.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.634 0.254 . . . . 0.42 110.741 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.2 -44.69 99.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.802 -0.444 . . . . 0.34 109.802 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.83 -44.57 98.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.076 -0.511 . . . . 0.44 110.128 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -61.44 -46.21 91.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.007 -0.542 . . . . 1.9 109.71 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 p -60.15 -43.37 95.81 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.742 -0.466 . . . . 1.28 109.742 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.11 -43.02 99.34 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.574 -1.01 . . . . 0.31 110.574 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -63.45 -39.86 95.59 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.557 -0.457 . . . . 2.42 109.787 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -57.08 -50.41 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.35 109.894 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -60.53 -46.33 90.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.452 -0.573 . . . . 2.9 109.452 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.67 -47.38 70.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 1.36 110.451 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.92 -42.29 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.37 109.868 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.4 73.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.149 -0.478 . . . . 0.36 110.796 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -58.83 -41.54 87.1 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 119.986 -0.686 . . . . 0.88 110.098 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.59 92.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.704 -0.48 . . . . 0.32 109.704 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.22 90.67 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.48 -0.563 . . . . 0.27 109.48 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.4 -43.94 98.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.647 -0.706 . . . . 0.45 109.835 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.25 -41.05 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.094 0.473 . . . . 2.1 110.093 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -58.73 -42.03 87.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.249 -0.432 . . . . 1.85 109.911 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.44 94.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.865 -0.607 . . . . 0.31 110.222 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.06 -32.01 71.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 1.75 110.397 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.0 -1.65 44.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.534 -0.466 . . . . 2.14 110.225 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.41 18.55 62.09 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.852 -0.499 . . . . 0.35 111.852 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -101.1 81.7 2.27 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.835 0.317 . . . . 1.4 111.143 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 103' ' ' ALA . 63.1 m-85 -66.58 -33.84 76.56 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.644 0.239 . . . . 0.58 111.644 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.7 75.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.34 110.801 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.81 83.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.32 110.459 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 41' ' ' MET . . . -60.31 -50.02 75.28 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.296 -0.562 . . . . 0.33 109.66 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -57.63 -45.05 85.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.486 -0.324 . . . . 2.93 111.183 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.07 99.59 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.553 -0.459 . . . . 0.34 110.575 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 76.1 mmm -65.25 -41.22 94.5 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.878 -0.601 . . . . 1.44 110.688 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.569 ' SD ' HD12 ' A' ' 95' ' ' ILE . 8.1 mtm -62.47 -43.43 98.82 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.341 -0.543 . . . . 2.45 111.289 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.4 -45.86 92.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.87 -0.605 . . . . 1.95 109.941 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -65.92 -39.51 90.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.741 -0.663 . . . . 2.19 110.515 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -46.31 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.531 -0.468 . . . . 1.39 109.854 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 14.2 ttt180 -61.92 -42.83 99.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 3.08 111.148 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -40.41 93.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 2.54 110.081 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.63 98.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.827 -0.624 . . . . 0.33 109.937 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.403 HD21 ' CB ' ' A' ' 18' ' ' ALA . 88.6 mt -66.39 -41.62 89.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.162 -0.472 . . . . 0.52 111.035 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.55 -44.33 96.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.729 -0.669 . . . . 2.15 109.855 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.67 -40.05 92.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 1.92 109.971 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.94 -45.77 84.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.32 110.229 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.501 ' O ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -61.42 -39.58 91.27 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.169 -0.469 . . . . 1.27 110.643 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.25 -42.57 98.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.65 110.466 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -64.13 -43.67 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.42 110.103 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.576 ' OE1' HD12 ' A' ' 81' ' ' LEU . 4.1 tt0 -62.52 -40.3 96.32 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.492 -0.483 . . . . 2.35 110.135 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -57.82 -45.41 86.21 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 110.246 -0.279 . . . . 1.29 110.246 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -60.01 -41.04 91.29 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 109.255 -0.646 . . . . 2.96 109.255 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 62' ' ' ASP . 90.9 mt -61.49 -61.35 2.59 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.509 -0.876 . . . . 0.5 108.734 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.4 mt -53.02 -39.37 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.517 0.562 . . . . 0.79 112.517 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -79.74 -49.32 12.22 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.054 -0.658 . . . . 2.53 111.85 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.47 3.36 59.47 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 120.745 -0.741 . . . . 2.32 113.337 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.62 ' CB ' ' O ' ' A' ' 58' ' ' LEU . 3.3 t70 -65.83 -86.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 117.947 0.874 . . . . 4.35 111.277 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 62' ' ' ASP . . . -27.21 107.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.713 -1.13 . . . . 5.2 111.537 -176.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.9 -52.8 50.09 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 109.847 -1.301 . . . . 5.29 109.847 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -99.62 143.85 29.38 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.436 0.636 . . . . 7.54 111.735 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . 19.1 -108.85 0.01 OUTLIER Glycine 0 CA--C 1.538 1.496 0 CA-C-N 114.741 -1.118 . . . . 4.92 115.536 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' A' ' 66' ' ' GLY . 11.4 mtmm -17.32 142.51 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.301 1.223 . . . . 7.36 114.301 -173.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.68 ' O ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -100.6 -24.21 14.5 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.065 -0.97 . . . . 6.47 111.305 -179.128 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.68 ' O ' ' O ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -17.51 -125.49 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.37 1.068 . . . . 5.68 113.189 -178.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.517 ' H ' ' HB3' ' A' ' 69' ' ' LYS . 13.7 m -153.24 -175.16 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 107.742 -1.207 . . . . 2.2 107.742 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.482 ' H ' ' HB2' ' A' ' 74' ' ' LEU . 19.2 p -133.37 162.97 30.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.478 -0.564 . . . . 0.88 109.478 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.15 -46.64 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.582 -0.895 . . . . 1.85 108.582 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.616 HG13 HG21 ' A' ' 8' ' ' VAL . 53.1 t -61.01 -47.65 92.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.755 -1.111 . . . . 0.99 112.498 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' HB2' ' H ' ' A' ' 71' ' ' SER . 70.0 mt -64.19 -39.81 94.76 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.956 0.408 . . . . 1.17 111.178 -177.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.23 -45.78 88.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.57 -0.9 . . . . 0.55 108.57 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.474 ' CE1' ' NE2' ' A' ' 80' ' ' HIS . 42.0 t-80 -57.14 -45.91 83.15 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.379 -0.529 . . . . 1.09 110.305 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.86 97.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.355 -0.384 . . . . 0.64 110.667 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.62 -40.03 95.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 2.05 109.673 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.1 -48.36 78.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.849 -0.614 . . . . 0.37 110.566 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.474 ' NE2' ' CE1' ' A' ' 76' ' ' HIS . 93.7 m-70 -66.56 -46.59 75.53 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.187 -0.605 . . . . 1.07 110.907 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.576 HD12 ' OE1' ' A' ' 55' ' ' GLN . 85.3 mt -63.54 -45.15 91.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.63 111.363 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 81.6 mmm -62.58 -43.78 97.95 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.865 0.364 . . . . 1.67 110.081 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.9 p -63.42 -47.39 82.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.814 -0.63 . . . . 0.48 110.44 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 m -62.18 -48.04 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 1.35 111.323 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.2 ttp -59.92 -45.87 91.21 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.769 -0.372 . . . . 1.86 110.372 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' B' ' 87' ' ' ALA . 14.0 tp -62.71 -46.11 89.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.485 . . . . 0.67 110.116 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.466 ' HB2' HD11 ' C' ' 86' ' ' LEU . . . -56.64 -49.49 74.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.475 -0.784 . . . . 0.26 109.704 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.456 HH21 ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -60.98 -44.7 96.99 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.821 -1.081 . . . . 3.52 110.954 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.51 -45.6 93.52 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.228 -0.589 . . . . 2.21 110.883 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -65.22 -41.53 94.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 0.44 110.542 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.74 -39.58 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 0.37 109.66 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.3 m -57.46 -45.36 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.969 -0.382 . . . . 0.38 109.969 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -61.5 -43.04 99.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 2.05 109.75 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 23.8 mt -60.8 -42.23 97.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.958 -0.565 . . . . 0.33 109.916 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.569 HD12 ' SD ' ' A' ' 41' ' ' MET . 84.3 mt -62.51 -42.9 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.463 -0.335 . . . . 0.36 110.785 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.33 -38.82 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.822 -0.351 . . . . 1.97 110.088 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.497 HD21 ' CE1' ' B' ' 98' ' ' HIS . 34.0 mt -62.18 -41.26 98.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.81 -0.356 . . . . 0.29 110.344 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.474 ' CE1' HD21 ' C' ' 97' ' ' LEU . 75.0 m80 -58.68 -39.23 80.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.798 -0.445 . . . . 1.04 109.798 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.58 -41.94 95.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 1.52 110.676 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.18 -36.15 83.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.544 -0.298 . . . . 1.8 110.803 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 11.5 mt -62.2 -43.14 99.5 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 119.477 -0.297 . . . . 1.08 111.245 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER 147.86 -96.46 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.547 0.739 . . . . 5.78 109.436 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.578 ' O ' ' CZ ' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-N 115.233 -0.894 . . . . 4.9 111.604 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 108.979 -0.749 . . . . 5.37 108.979 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' B' ' 1' ' ' ALA . 0.6 OUTLIER -25.38 -89.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.056 0.847 . . . . 5.71 111.845 -178.174 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 7' ' ' VAL . 9.2 mt-10 -62.78 -59.5 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 3.24 110.914 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.845 ' O ' HG23 ' B' ' 8' ' ' VAL . 63.5 mt -44.2 -42.46 6.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.82 110.948 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 1' ' ' ALA . 40.8 tt0 -69.48 -45.87 67.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.107 0.48 . . . . 2.39 110.325 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -69.2 -34.76 75.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.565 -0.743 . . . . 2.4 109.961 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 3' ' ' GLU . 63.2 t -64.82 -41.42 92.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.909 -0.587 . . . . 0.43 110.521 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.845 HG23 ' O ' ' B' ' 4' ' ' LEU . 83.5 t -60.93 -43.98 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.33 109.942 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 32.6 ttm -58.04 -42.67 85.87 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.385 -0.598 . . . . 1.56 109.385 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.56 98.52 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.371 -1.092 . . . . 0.31 110.371 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.46 -43.32 97.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.608 0.242 . . . . 0.42 110.773 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.21 -44.66 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.803 -0.443 . . . . 0.34 109.803 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.82 -44.63 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.524 . . . . 0.43 110.113 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -61.37 -46.17 91.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 1.9 109.722 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.9 p -60.21 -43.44 95.97 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.774 -0.454 . . . . 1.28 109.774 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.04 99.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.618 -0.993 . . . . 0.31 110.618 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -63.58 -39.35 94.16 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.767 -0.457 . . . . 2.42 109.767 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.444 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.11 -50.51 72.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.35 109.916 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -60.96 -45.95 92.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.474 -0.565 . . . . 2.9 109.474 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -47.39 70.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.36 110.43 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.95 -42.37 99.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.37 109.921 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.27 74.43 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.36 110.846 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -58.81 -41.57 87.1 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.97 -0.692 . . . . 0.88 110.07 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.55 92.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.692 -0.484 . . . . 0.32 109.692 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.3 90.39 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.515 -0.55 . . . . 0.27 109.515 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.42 -43.93 98.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.592 -0.731 . . . . 0.45 109.812 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.28 -40.99 78.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 2.11 110.074 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -58.77 -41.99 87.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.991 0.424 . . . . 1.86 109.91 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.44 94.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.31 110.274 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.04 -31.99 71.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 1.75 110.404 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.99 -1.66 44.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.516 -0.474 . . . . 2.13 110.224 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 18.53 62.07 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.81 -0.516 . . . . 0.35 111.81 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -101.16 81.73 2.26 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.791 0.296 . . . . 1.4 111.169 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' B' ' 103' ' ' ALA . 63.2 m-85 -66.58 -33.81 76.49 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.645 0.239 . . . . 0.58 111.645 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.71 74.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.818 0.342 . . . . 0.34 110.824 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.78 83.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.168 -0.469 . . . . 0.32 110.425 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' B' ' 41' ' ' MET . . . -60.21 -50.06 75.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.295 -0.562 . . . . 0.33 109.642 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -57.66 -45.13 85.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.481 -0.327 . . . . 2.92 111.165 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.24 99.24 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.544 -0.462 . . . . 0.34 110.651 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 76.4 mmm -65.13 -41.24 95.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.831 -0.622 . . . . 1.44 110.639 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.564 ' SD ' HD12 ' B' ' 95' ' ' ILE . 8.2 mtm -62.48 -43.43 98.83 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.394 -0.522 . . . . 2.45 111.292 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.37 -45.81 92.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.84 -0.618 . . . . 1.95 109.946 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -65.91 -39.58 90.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 2.19 110.527 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -46.28 84.62 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.51 -0.476 . . . . 1.39 109.895 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' B' ' 88' ' ' ARG . 14.4 ttt180 -61.93 -42.84 99.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.965 -0.562 . . . . 3.08 111.132 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -40.5 93.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 2.54 110.119 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.6 98.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.33 109.94 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.444 HD21 ' CB ' ' B' ' 18' ' ' ALA . 88.6 mt -66.56 -41.65 88.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.52 110.988 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.55 -44.22 96.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.883 -0.599 . . . . 2.15 109.886 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.58 -39.99 92.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 1.92 109.985 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.18 -45.57 84.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.32 110.223 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.5 ' O ' ' OG1' ' B' ' 56' ' ' THR . 0.5 OUTLIER -61.39 -39.6 91.27 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.226 -0.443 . . . . 1.26 110.625 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.27 -42.6 98.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.65 110.445 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.0 t -64.03 -43.67 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.42 110.17 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.581 ' OE1' HD12 ' B' ' 81' ' ' LEU . 4.1 tt0 -62.57 -40.26 96.31 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.482 -0.487 . . . . 2.35 110.121 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' B' ' 52' ' ' HIS . 0.2 OUTLIER -57.7 -45.52 85.59 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.257 -0.275 . . . . 1.29 110.257 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -60.01 -41.1 91.41 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.27 -0.641 . . . . 2.96 109.27 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.618 ' O ' ' CB ' ' B' ' 62' ' ' ASP . 91.1 mt -61.42 -61.12 2.76 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 108.691 -0.855 . . . . 0.5 108.691 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -53.24 -39.3 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.48 0.548 . . . . 0.79 112.48 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -80.07 -48.72 12.81 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.037 -0.665 . . . . 2.53 111.915 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.91 3.89 58.91 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 120.806 -0.711 . . . . 2.32 113.433 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.618 ' CB ' ' O ' ' B' ' 58' ' ' LEU . 3.6 t70 -66.9 -87.65 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.925 0.862 . . . . 4.35 111.338 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.482 ' N ' ' CG ' ' B' ' 62' ' ' ASP . . . -28.66 103.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.746 -1.115 . . . . 5.2 111.505 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.1 -54.87 31.18 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 109.796 -1.321 . . . . 5.29 109.796 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' B' ' 66' ' ' GLY . 41.3 mt-10 -92.41 144.96 24.85 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.492 0.663 . . . . 7.54 111.51 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . 13.49 -106.59 0.01 OUTLIER Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.766 -1.106 . . . . 4.92 115.671 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.499 ' O ' ' O ' ' B' ' 66' ' ' GLY . 14.4 mtmm -17.36 143.47 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.456 1.28 . . . . 7.35 114.456 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.677 ' O ' ' O ' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -101.12 -25.25 14.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.918 -1.037 . . . . 6.47 111.354 -179.045 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.677 ' O ' ' O ' ' B' ' 68' ' ' MET . 0.0 OUTLIER -17.54 -125.35 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.182 0.993 . . . . 5.68 113.108 -178.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.435 ' H ' ' HB3' ' B' ' 69' ' ' LYS . 12.7 m -153.32 -174.89 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 107.636 -1.246 . . . . 2.2 107.636 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' B' ' 74' ' ' LEU . 18.7 p -133.36 163.19 29.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.546 -0.538 . . . . 0.88 109.546 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.79 -47.21 20.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.565 -0.902 . . . . 1.85 108.565 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.629 HG13 HG21 ' B' ' 8' ' ' VAL . 54.2 t -61.11 -47.47 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 114.703 -1.135 . . . . 1.0 112.592 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.47 ' HB2' ' H ' ' B' ' 71' ' ' SER . 68.8 mt -64.1 -39.7 94.62 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.938 0.399 . . . . 1.18 111.181 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.25 -46.0 88.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.535 -0.913 . . . . 0.55 108.535 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' HIS . . . . . 0.478 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 41.9 t-80 -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.408 -0.517 . . . . 1.09 110.331 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.09 -40.78 96.97 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.919 0.39 . . . . 0.64 110.653 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.6 -40.02 95.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 2.05 109.617 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.16 -48.42 78.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.806 -0.634 . . . . 0.37 110.512 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.478 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 93.7 m-70 -66.47 -46.66 75.62 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.234 -0.586 . . . . 1.08 110.85 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.581 HD12 ' OE1' ' B' ' 55' ' ' GLN . 85.3 mt -63.53 -45.18 91.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.437 -0.347 . . . . 0.63 111.344 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 81.6 mmm -62.6 -43.82 97.86 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 110.051 -0.351 . . . . 1.66 110.051 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 10.9 p -63.35 -47.46 82.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.799 -0.637 . . . . 0.48 110.447 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.2 m -62.16 -48.05 81.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 1.36 111.305 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 22.0 ttp -59.87 -45.84 91.2 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.875 0.369 . . . . 1.86 110.334 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' C' ' 87' ' ' ALA . 14.0 tp -62.84 -46.02 89.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.67 110.119 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -56.72 -49.44 75.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.602 -0.726 . . . . 0.26 109.659 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.452 HH21 ' HB3' ' B' ' 41' ' ' MET . 0.1 OUTLIER -60.92 -44.72 96.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.776 -1.102 . . . . 3.52 110.969 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.49 -45.58 93.61 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.224 -0.591 . . . . 2.21 110.94 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -65.28 -41.54 94.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.96 0.409 . . . . 0.44 110.504 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.7 -39.49 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.539 . . . . 0.37 109.746 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 53.8 m -57.47 -45.32 84.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.38 109.979 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -61.5 -43.09 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 2.05 109.706 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.8 -42.26 97.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.973 -0.558 . . . . 0.33 109.939 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.564 HD12 ' SD ' ' B' ' 41' ' ' MET . 84.4 mt -62.49 -42.85 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.455 -0.339 . . . . 0.36 110.822 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.46 -38.85 78.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.03 -0.359 . . . . 1.97 110.03 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' C' ' 98' ' ' HIS . 34.3 mt -62.13 -41.31 98.12 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.851 -0.34 . . . . 0.29 110.362 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.497 ' CE1' HD21 ' A' ' 97' ' ' LEU . 75.1 m80 -58.55 -39.39 80.1 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.736 -0.468 . . . . 1.04 109.736 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.37 -42.05 96.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 1.52 110.67 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.43 -35.74 81.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.55 -0.295 . . . . 1.8 110.796 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' B' ' 102' ' ' LYS . 11.2 mt -61.82 -40.84 96.69 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 119.005 -0.521 . . . . 1.08 111.362 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.583 ' HZ2' ' HB3' ' B' ' 102' ' ' LYS . 0.0 OUTLIER 144.06 -99.73 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 O-C-N 124.128 0.892 . . . . 5.78 109.645 178.403 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.582 ' O ' ' CZ ' ' B' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.452 0 CA-C-N 115.258 -0.883 . . . . 4.9 111.591 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' C' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.979 -0.749 . . . . 5.37 108.979 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' C' ' 1' ' ' ALA . 0.6 OUTLIER -25.17 -89.44 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.986 0.804 . . . . 5.71 111.933 -178.231 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.471 ' O ' HG23 ' C' ' 7' ' ' VAL . 9.2 mt-10 -62.86 -59.37 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 3.24 110.943 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.855 ' O ' HG23 ' C' ' 8' ' ' VAL . 63.9 mt -44.26 -42.45 6.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.396 -0.366 . . . . 0.82 110.917 -177.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' C' ' 1' ' ' ALA . 40.8 tt0 -69.4 -45.89 68.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.203 0.525 . . . . 2.39 110.361 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -69.27 -34.63 75.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.541 -0.754 . . . . 2.4 109.865 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 3' ' ' GLU . 63.7 t -64.96 -41.34 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.955 -0.566 . . . . 0.43 110.54 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.855 HG23 ' O ' ' C' ' 4' ' ' LEU . 81.9 t -60.92 -43.97 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 0.33 109.953 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 32.3 ttm -58.12 -42.65 86.23 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.465 -0.569 . . . . 1.57 109.465 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.21 -43.51 98.46 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.345 -1.102 . . . . 0.31 110.345 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.38 -43.41 97.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.633 0.254 . . . . 0.42 110.733 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.19 -44.6 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.85 -0.426 . . . . 0.34 109.85 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.87 -44.6 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.505 . . . . 0.43 110.117 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -61.33 -46.25 91.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.547 . . . . 1.9 109.718 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 12.1 p -60.16 -43.29 95.9 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.838 -0.43 . . . . 1.28 109.838 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.23 -43.06 99.11 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.627 -0.989 . . . . 0.31 110.627 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -63.47 -39.72 95.22 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.721 -0.474 . . . . 2.41 109.721 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.46 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.35 109.916 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.53 -46.13 91.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.471 -0.566 . . . . 2.9 109.471 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -47.37 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 1.36 110.435 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.91 -42.33 99.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.37 109.89 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -50.32 74.26 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.18 -0.464 . . . . 0.36 110.828 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -58.87 -41.58 87.4 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.032 -0.667 . . . . 0.88 110.103 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.45 92.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.66 -0.496 . . . . 0.32 109.66 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.2 90.62 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.487 -0.56 . . . . 0.27 109.487 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.42 -43.95 97.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.45 109.83 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.25 -41.04 78.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.25 -0.432 . . . . 2.11 110.058 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -58.79 -41.93 87.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 1.86 109.937 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.43 94.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.894 -0.593 . . . . 0.31 110.254 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.01 -31.93 71.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.306 -0.406 . . . . 1.75 110.388 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.1 -1.51 44.56 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.466 -0.493 . . . . 2.14 110.241 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.37 18.55 62.17 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.784 -0.526 . . . . 0.35 111.784 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -101.19 81.49 2.23 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.65 -0.324 . . . . 1.4 111.14 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' C' ' 103' ' ' ALA . 65.6 m-85 -66.49 -33.9 76.73 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.622 0.23 . . . . 0.58 111.622 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -49.84 74.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.34 110.779 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.75 83.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.32 110.392 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' C' ' 41' ' ' MET . . . -60.19 -49.86 75.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.31 -0.556 . . . . 0.33 109.679 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -57.9 -45.06 87.05 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.51 -0.314 . . . . 2.93 111.176 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.91 -43.01 99.72 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.6 -0.44 . . . . 0.34 110.681 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 77.0 mmm -65.26 -41.04 94.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.834 -0.621 . . . . 1.44 110.679 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.558 ' SD ' HD12 ' C' ' 95' ' ' ILE . 9.8 mtm -63.15 -43.09 99.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.37 -0.532 . . . . 2.45 111.265 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -60.24 -45.88 91.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.983 -0.553 . . . . 1.95 109.808 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -65.88 -39.61 90.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 2.19 110.617 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -46.39 84.34 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.496 -0.482 . . . . 1.39 109.875 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' C' ' 88' ' ' ARG . 14.1 ttt180 -61.92 -42.77 99.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 3.08 111.091 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -40.52 93.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 2.55 110.037 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.54 98.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.829 -0.623 . . . . 0.33 109.951 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.39 -41.72 88.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.156 -0.475 . . . . 0.52 111.006 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.46 -44.33 95.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.801 -0.636 . . . . 2.15 109.915 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.69 -39.98 91.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.995 -0.548 . . . . 1.93 109.93 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.72 84.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.569 . . . . 0.32 110.216 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.494 ' O ' ' OG1' ' C' ' 56' ' ' THR . 0.5 OUTLIER -61.34 -39.6 91.17 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.202 -0.454 . . . . 1.27 110.687 179.69 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.31 -42.52 98.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.65 110.455 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.12 -43.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.42 110.131 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.569 ' OE1' HD12 ' C' ' 81' ' ' LEU . 4.1 tt0 -62.56 -40.21 96.12 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.451 -0.5 . . . . 2.35 110.172 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' C' ' 52' ' ' HIS . 0.2 OUTLIER -57.77 -45.45 85.95 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.271 -0.27 . . . . 1.29 110.271 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -60.08 -41.19 91.91 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.253 -0.647 . . . . 2.96 109.253 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.615 ' O ' ' CB ' ' C' ' 62' ' ' ASP . 90.2 mt -61.23 -61.28 2.67 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 119.626 -0.83 . . . . 0.5 108.818 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -53.14 -39.35 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 112.399 0.518 . . . . 0.79 112.399 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -80.05 -48.8 12.71 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.042 -0.663 . . . . 2.53 111.882 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.81 3.83 59.07 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 120.779 -0.724 . . . . 2.32 113.384 -176.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.615 ' CB ' ' O ' ' C' ' 58' ' ' LEU . 3.5 t70 -66.6 -87.74 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.922 0.861 . . . . 4.35 111.32 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' C' ' 62' ' ' ASP . . . -29.11 104.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.839 -1.073 . . . . 5.2 111.404 -176.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.5 -53.29 44.52 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 109.778 -1.329 . . . . 5.29 109.778 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' C' ' 66' ' ' GLY . 40.3 mt-10 -92.89 144.1 25.6 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.456 0.646 . . . . 7.55 111.497 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . 13.71 -106.7 0.01 OUTLIER Glycine 0 CA--C 1.54 1.6 0 CA-C-N 114.736 -1.12 . . . . 4.92 115.69 178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' C' ' 66' ' ' GLY . 15.6 mtmm -17.37 143.32 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.493 1.294 . . . . 7.35 114.493 -173.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 68' ' ' MET . . . . . 0.682 ' O ' ' O ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -100.6 -25.54 14.13 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.903 -1.044 . . . . 6.47 111.406 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.682 ' O ' ' O ' ' C' ' 68' ' ' MET . 0.0 OUTLIER -17.16 -125.93 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.343 1.057 . . . . 5.67 113.174 -178.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.481 ' H ' ' HB3' ' C' ' 69' ' ' LYS . 13.0 m -152.9 -175.11 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 107.66 -1.237 . . . . 2.2 107.66 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' C' ' 74' ' ' LEU . 19.7 p -132.89 163.08 29.92 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.441 -0.578 . . . . 0.87 109.441 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.07 -46.87 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.613 -0.884 . . . . 1.85 108.613 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.626 HG13 HG21 ' C' ' 8' ' ' VAL . 53.2 t -61.04 -47.55 93.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.739 -1.119 . . . . 1.0 112.577 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.474 ' HB2' ' H ' ' C' ' 71' ' ' SER . 69.5 mt -64.06 -39.58 94.38 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.013 0.435 . . . . 1.18 111.154 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.21 -45.93 88.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.586 -0.894 . . . . 0.55 108.586 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' HIS . . . . . 0.472 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 41.9 t-80 -57.12 -45.9 83.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.364 -0.535 . . . . 1.09 110.348 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.85 97.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.911 0.386 . . . . 0.64 110.669 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.55 -39.99 95.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 2.05 109.628 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.19 -48.4 78.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.846 -0.615 . . . . 0.36 110.496 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.472 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 93.7 m-70 -66.57 -46.57 75.56 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.266 -0.574 . . . . 1.08 110.882 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.569 HD12 ' OE1' ' C' ' 55' ' ' GLN . 85.1 mt -63.58 -45.12 91.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.428 -0.351 . . . . 0.63 111.361 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 81.7 mmm -62.57 -43.89 97.7 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 110.044 -0.354 . . . . 1.66 110.044 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 11.0 p -63.3 -47.42 82.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.851 -0.613 . . . . 0.48 110.482 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.5 m -62.2 -48.1 81.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 1.36 111.289 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 21.8 ttp -59.79 -45.88 90.93 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.878 0.371 . . . . 1.86 110.34 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 87' ' ' ALA . 13.7 tp -62.9 -46.0 89.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.084 -0.507 . . . . 0.67 110.185 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' B' ' 86' ' ' LEU . . . -56.67 -49.43 75.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.725 . . . . 0.26 109.596 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.455 HH21 ' HB3' ' C' ' 41' ' ' MET . 0.1 OUTLIER -60.97 -44.68 96.99 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.788 -1.096 . . . . 3.52 111.005 -178.568 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.55 -45.59 93.53 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.208 -0.597 . . . . 2.21 110.87 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.26 -41.54 94.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.974 0.416 . . . . 0.44 110.511 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.64 -39.47 79.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.37 109.693 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 54.6 m -57.57 -45.33 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.38 109.956 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -61.47 -43.02 99.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 2.05 109.717 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.406 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 23.9 mt -60.86 -42.29 97.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.559 . . . . 0.33 109.886 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.558 HD12 ' SD ' ' C' ' 41' ' ' MET . 84.0 mt -62.47 -42.96 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.45 -0.341 . . . . 0.36 110.777 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.25 -38.96 77.93 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.945 -0.391 . . . . 1.97 109.945 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.474 HD21 ' CE1' ' A' ' 98' ' ' HIS . 35.1 mt -62.3 -41.1 98.24 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.779 -0.368 . . . . 0.29 110.281 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.477 ' CE1' HD21 ' B' ' 97' ' ' LEU . 74.2 m80 -58.6 -39.55 80.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.733 -0.469 . . . . 1.04 109.733 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.23 -42.45 96.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 1.52 110.358 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.66 -32.1 73.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.841 -0.343 . . . . 1.8 110.093 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' C' ' 102' ' ' LYS . 14.2 mt -75.29 12.7 0.88 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.319 0.859 . . . . 1.08 113.319 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' C' ' 101' ' ' LEU . 0.0 OUTLIER 87.88 -109.35 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.314 0.645 . . . . 5.78 110.847 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' C' ' 102' ' ' LYS . . . . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 118.62 -0.705 . . . . 4.9 111.196 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 108.994 -0.743 . . . . 5.3700000000000001 108.994 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -25.19 -89.42 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.059 0.85 . . . . 5.71 111.868 -178.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 7' ' ' VAL . 9.4 mt-10 -62.77 -59.79 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 3.25 110.851 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.839 ' O ' HG23 ' A' ' 8' ' ' VAL . 63.2 mt -43.9 -42.45 5.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.365 -0.38 . . . . 0.82999999999999996 110.943 -177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' ALA . 41.0 tt0 -69.43 -45.94 67.96 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.194 0.521 . . . . 2.3900000000000001 110.358 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -69.26 -34.68 75.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.532 -0.758 . . . . 2.3999999999999999 109.925 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 3' ' ' GLU . 63.1 t -64.84 -41.38 92.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.42999999999999999 110.544 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 4' ' ' LEU . 82.2 t -60.97 -44.01 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.04 -0.527 . . . . 0.33000000000000002 109.929 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 32.5 ttm -58.09 -42.51 85.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.444 -0.576 . . . . 1.5700000000000001 109.444 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.27 -43.54 98.32 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.3 -1.12 . . . . 0.32000000000000001 110.3 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.4 -43.37 97.75 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.634 0.254 . . . . 0.41999999999999998 110.741 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.2 -44.69 99.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.802 -0.444 . . . . 0.34000000000000002 109.802 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.83 -44.57 98.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.076 -0.511 . . . . 0.44 110.128 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -61.44 -46.21 91.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.007 -0.542 . . . . 1.8999999999999999 109.71 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 p -60.15 -43.37 95.81 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.742 -0.466 . . . . 1.28 109.742 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.11 -43.02 99.34 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.574 -1.01 . . . . 0.31 110.574 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -63.45 -39.86 95.59 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.557 -0.457 . . . . 2.4199999999999999 109.787 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -57.08 -50.41 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.34999999999999998 109.894 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -60.53 -46.33 90.55 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.452 -0.573 . . . . 2.8999999999999999 109.452 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.67 -47.38 70.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 1.3600000000000001 110.451 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 69.0 mt -62.92 -42.29 99.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.37 109.868 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.4 73.97 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.149 -0.478 . . . . 0.35999999999999999 110.796 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -58.83 -41.54 87.1 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 119.986 -0.686 . . . . 0.88 110.098 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.59 92.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.704 -0.48 . . . . 0.32000000000000001 109.704 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.22 90.67 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.48 -0.563 . . . . 0.27000000000000002 109.48 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.4 -43.94 98.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.647 -0.706 . . . . 0.45000000000000001 109.835 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.25 -41.05 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.094 0.473 . . . . 2.1000000000000001 110.093 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -58.73 -42.03 87.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.249 -0.432 . . . . 1.8500000000000001 109.911 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.44 94.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.865 -0.607 . . . . 0.31 110.222 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.06 -32.01 71.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 1.75 110.397 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.0 -1.65 44.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.534 -0.466 . . . . 2.1400000000000001 110.225 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.41 18.55 62.09 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.852 -0.499 . . . . 0.34999999999999998 111.852 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -101.1 81.7 2.27 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.835 0.317 . . . . 1.3999999999999999 111.143 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' A' ' 103' ' ' ALA . 63.1 m-85 -66.58 -33.84 76.56 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.644 0.239 . . . . 0.57999999999999996 111.644 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.7 75.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.788 0.328 . . . . 0.34000000000000002 110.801 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.81 83.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.151 -0.477 . . . . 0.32000000000000001 110.459 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 41' ' ' MET . . . -60.31 -50.02 75.28 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.296 -0.562 . . . . 0.33000000000000002 109.66 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -57.63 -45.05 85.91 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.486 -0.324 . . . . 2.9300000000000002 111.183 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.07 99.59 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.553 -0.459 . . . . 0.34000000000000002 110.575 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 76.1 mmm -65.25 -41.22 94.5 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.878 -0.601 . . . . 1.4399999999999999 110.688 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.569 ' SD ' HD12 ' A' ' 95' ' ' ILE . 8.1 mtm -62.47 -43.43 98.82 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.341 -0.543 . . . . 2.4500000000000002 111.289 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.4 -45.86 92.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.87 -0.605 . . . . 1.95 109.941 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -65.92 -39.51 90.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.741 -0.663 . . . . 2.1899999999999999 110.515 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -46.31 84.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.531 -0.468 . . . . 1.3899999999999999 109.854 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 14.2 ttt180 -61.92 -42.83 99.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.025 -0.534 . . . . 3.0800000000000001 111.148 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -40.41 93.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 2.54 110.081 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.63 98.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.827 -0.624 . . . . 0.33000000000000002 109.937 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.403 HD21 ' CB ' ' A' ' 18' ' ' ALA . 88.6 mt -66.39 -41.62 89.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.162 -0.472 . . . . 0.52000000000000002 111.035 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.55 -44.33 96.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.729 -0.669 . . . . 2.1499999999999999 109.855 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.67 -40.05 92.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.038 -0.528 . . . . 1.9199999999999999 109.971 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.94 -45.77 84.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.32000000000000001 110.229 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.501 ' O ' ' OG1' ' A' ' 56' ' ' THR . 0.5 OUTLIER -61.42 -39.58 91.27 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.169 -0.469 . . . . 1.27 110.643 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.25 -42.57 98.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.65000000000000002 110.466 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -64.13 -43.67 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.41999999999999998 110.103 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.576 ' OE1' HD12 ' A' ' 81' ' ' LEU . 4.1 tt0 -62.52 -40.3 96.32 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 120.492 -0.483 . . . . 2.3500000000000001 110.135 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -57.82 -45.41 86.21 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 110.246 -0.279 . . . . 1.29 110.246 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -60.01 -41.04 91.29 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 109.255 -0.646 . . . . 2.96 109.255 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.62 ' O ' ' CB ' ' A' ' 62' ' ' ASP . 90.9 mt -61.49 -61.35 2.59 Favored 'General case' 0 N--CA 1.437 -1.118 0 C-N-CA 119.509 -0.876 . . . . 0.5 108.734 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.4 mt -53.02 -39.37 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.517 0.562 . . . . 0.79000000000000004 112.517 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -79.74 -49.32 12.22 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.054 -0.658 . . . . 2.5299999999999998 111.85 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.47 3.36 59.47 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 120.745 -0.741 . . . . 2.3199999999999998 113.337 -176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.62 ' CB ' ' O ' ' A' ' 58' ' ' LEU . 3.3 t70 -65.83 -86.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 117.947 0.874 . . . . 4.3499999999999996 111.277 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 62' ' ' ASP . . . -27.21 107.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.713 -1.13 . . . . 5.2000000000000002 111.537 -176.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.9 -52.8 50.09 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 109.847 -1.301 . . . . 5.29 109.847 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -99.62 143.85 29.38 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.436 0.636 . . . . 7.54 111.735 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . 19.1 -108.85 0.01 OUTLIER Glycine 0 CA--C 1.538 1.496 0 CA-C-N 114.741 -1.118 . . . . 4.9199999999999999 115.536 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' A' ' 66' ' ' GLY . 11.4 mtmm -17.32 142.51 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.301 1.223 . . . . 7.3600000000000003 114.301 -173.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.68 ' O ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -100.6 -24.21 14.5 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.065 -0.97 . . . . 6.4699999999999998 111.305 -179.128 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.68 ' O ' ' O ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -17.51 -125.49 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 124.37 1.068 . . . . 5.6799999999999997 113.189 -178.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.517 ' H ' ' HB3' ' A' ' 69' ' ' LYS . 13.7 m -153.24 -175.16 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 107.742 -1.207 . . . . 2.2000000000000002 107.742 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.482 ' H ' ' HB2' ' A' ' 74' ' ' LEU . 19.2 p -133.37 162.97 30.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.478 -0.564 . . . . 0.88 109.478 178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.15 -46.64 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.582 -0.895 . . . . 1.8500000000000001 108.582 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.616 HG13 HG21 ' A' ' 8' ' ' VAL . 53.1 t -61.01 -47.65 92.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.755 -1.111 . . . . 0.98999999999999999 112.498 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' HB2' ' H ' ' A' ' 71' ' ' SER . 70.0 mt -64.19 -39.81 94.76 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.956 0.408 . . . . 1.1699999999999999 111.178 -177.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.23 -45.78 88.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.57 -0.9 . . . . 0.55000000000000004 108.57 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.474 ' CE1' ' NE2' ' A' ' 80' ' ' HIS . 42.0 t-80 -57.14 -45.91 83.15 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.379 -0.529 . . . . 1.0900000000000001 110.305 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.86 97.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.355 -0.384 . . . . 0.64000000000000001 110.667 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.62 -40.03 95.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 2.0499999999999998 109.673 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.1 -48.36 78.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.849 -0.614 . . . . 0.37 110.566 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.474 ' NE2' ' CE1' ' A' ' 76' ' ' HIS . 93.7 m-70 -66.56 -46.59 75.53 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.187 -0.605 . . . . 1.0700000000000001 110.907 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.576 HD12 ' OE1' ' A' ' 55' ' ' GLN . 85.3 mt -63.54 -45.15 91.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.63 111.363 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 81.6 mmm -62.58 -43.78 97.95 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.865 0.364 . . . . 1.6699999999999999 110.081 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.9 p -63.42 -47.39 82.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.814 -0.63 . . . . 0.47999999999999998 110.44 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 m -62.18 -48.04 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 1.3500000000000001 111.323 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.2 ttp -59.92 -45.87 91.21 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.769 -0.372 . . . . 1.8600000000000001 110.372 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' B' ' 87' ' ' ALA . 14.0 tp -62.71 -46.11 89.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.485 . . . . 0.67000000000000004 110.116 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.466 ' HB2' HD11 ' C' ' 86' ' ' LEU . . . -56.64 -49.49 74.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.475 -0.784 . . . . 0.26000000000000001 109.704 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.456 HH21 ' HB3' ' A' ' 41' ' ' MET . 0.1 OUTLIER -60.98 -44.7 96.99 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.821 -1.081 . . . . 3.52 110.954 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.51 -45.6 93.52 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.228 -0.589 . . . . 2.21 110.883 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -65.22 -41.53 94.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 0.44 110.542 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 69.9 mt -59.74 -39.58 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.033 -0.53 . . . . 0.37 109.66 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.3 m -57.46 -45.36 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.969 -0.382 . . . . 0.38 109.969 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -61.5 -43.04 99.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 2.0499999999999998 109.75 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 23.8 mt -60.8 -42.23 97.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.958 -0.565 . . . . 0.33000000000000002 109.916 -179.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.569 HD12 ' SD ' ' A' ' 41' ' ' MET . 84.3 mt -62.51 -42.9 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.463 -0.335 . . . . 0.35999999999999999 110.785 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.33 -38.82 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.822 -0.351 . . . . 1.97 110.088 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.497 HD21 ' CE1' ' B' ' 98' ' ' HIS . 34.0 mt -62.18 -41.26 98.16 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.81 -0.356 . . . . 0.28999999999999998 110.344 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.474 ' CE1' HD21 ' C' ' 97' ' ' LEU . 75.0 m80 -58.68 -39.23 80.08 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.798 -0.445 . . . . 1.04 109.798 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.58 -41.94 95.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 1.52 110.676 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.18 -36.15 83.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.544 -0.298 . . . . 1.8 110.803 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 11.5 mt -62.2 -43.14 99.5 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 119.477 -0.297 . . . . 1.0800000000000001 111.245 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 103' ' ' ALA . 0.1 OUTLIER 147.86 -96.46 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.547 0.739 . . . . 5.7800000000000002 109.436 177.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.578 ' O ' ' CZ ' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-N 115.233 -0.894 . . . . 4.9000000000000004 111.604 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 108.979 -0.749 . . . . 5.3700000000000001 108.979 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' B' ' 1' ' ' ALA . 0.6 OUTLIER -25.38 -89.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.056 0.847 . . . . 5.71 111.845 -178.174 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.456 ' O ' HG23 ' B' ' 7' ' ' VAL . 9.2 mt-10 -62.78 -59.5 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 3.2400000000000002 110.914 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.845 ' O ' HG23 ' B' ' 8' ' ' VAL . 63.5 mt -44.2 -42.46 6.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.81999999999999995 110.948 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 1' ' ' ALA . 40.8 tt0 -69.48 -45.87 67.98 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.107 0.48 . . . . 2.3900000000000001 110.325 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -69.2 -34.76 75.39 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.565 -0.743 . . . . 2.3999999999999999 109.961 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 3' ' ' GLU . 63.2 t -64.82 -41.42 92.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.909 -0.587 . . . . 0.42999999999999999 110.521 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.845 HG23 ' O ' ' B' ' 4' ' ' LEU . 83.5 t -60.93 -43.98 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.045 -0.525 . . . . 0.33000000000000002 109.942 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 32.6 ttm -58.04 -42.67 85.87 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.385 -0.598 . . . . 1.5600000000000001 109.385 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.56 98.52 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.371 -1.092 . . . . 0.31 110.371 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.46 -43.32 97.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.608 0.242 . . . . 0.41999999999999998 110.773 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.21 -44.66 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.803 -0.443 . . . . 0.34000000000000002 109.803 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.82 -44.63 98.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.524 . . . . 0.42999999999999999 110.113 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -61.37 -46.17 91.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.52 . . . . 1.8999999999999999 109.722 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.9 p -60.21 -43.44 95.97 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.774 -0.454 . . . . 1.28 109.774 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.04 99.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.618 -0.993 . . . . 0.31 110.618 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -63.58 -39.35 94.16 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.767 -0.457 . . . . 2.4199999999999999 109.767 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.444 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.11 -50.51 72.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 0.34999999999999998 109.916 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -60.96 -45.95 92.69 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.474 -0.565 . . . . 2.8999999999999999 109.474 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -47.39 70.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.3600000000000001 110.43 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.95 -42.37 99.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.37 109.921 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.27 74.43 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.095 -0.502 . . . . 0.35999999999999999 110.846 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -58.81 -41.57 87.1 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.97 -0.692 . . . . 0.88 110.07 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.55 92.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.692 -0.484 . . . . 0.32000000000000001 109.692 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.3 90.39 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.515 -0.55 . . . . 0.27000000000000002 109.515 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.42 -43.93 98.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.592 -0.731 . . . . 0.45000000000000001 109.812 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.28 -40.99 78.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 2.1099999999999999 110.074 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 55.6 mm-40 -58.77 -41.99 87.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.991 0.424 . . . . 1.8600000000000001 109.91 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.44 94.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.31 110.274 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.04 -31.99 71.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.315 -0.402 . . . . 1.75 110.404 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -80.99 -1.66 44.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.516 -0.474 . . . . 2.1299999999999999 110.224 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 18.53 62.07 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.81 -0.516 . . . . 0.34999999999999998 111.81 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -101.16 81.73 2.26 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.791 0.296 . . . . 1.3999999999999999 111.169 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.582 ' CZ ' ' O ' ' B' ' 103' ' ' ALA . 63.2 m-85 -66.58 -33.81 76.49 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.645 0.239 . . . . 0.57999999999999996 111.645 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.02 -49.71 74.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.818 0.342 . . . . 0.34000000000000002 110.824 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.75 -36.78 83.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.168 -0.469 . . . . 0.32000000000000001 110.425 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' B' ' 41' ' ' MET . . . -60.21 -50.06 75.16 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.295 -0.562 . . . . 0.33000000000000002 109.642 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -57.66 -45.13 85.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.481 -0.327 . . . . 2.9199999999999999 111.165 179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -43.24 99.24 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.544 -0.462 . . . . 0.34000000000000002 110.651 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 76.4 mmm -65.13 -41.24 95.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.831 -0.622 . . . . 1.4399999999999999 110.639 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.564 ' SD ' HD12 ' B' ' 95' ' ' ILE . 8.2 mtm -62.48 -43.43 98.83 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 120.394 -0.522 . . . . 2.4500000000000002 111.292 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.37 -45.81 92.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.84 -0.618 . . . . 1.95 109.946 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -65.91 -39.58 90.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 2.1899999999999999 110.527 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.72 -46.28 84.62 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.51 -0.476 . . . . 1.3899999999999999 109.895 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.415 ' HB2' ' NH1' ' B' ' 88' ' ' ARG . 14.4 ttt180 -61.93 -42.84 99.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.965 -0.562 . . . . 3.0800000000000001 111.132 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -40.5 93.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.421 -0.354 . . . . 2.54 110.119 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.6 98.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.33000000000000002 109.94 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.444 HD21 ' CB ' ' B' ' 18' ' ' ALA . 88.6 mt -66.56 -41.65 88.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.52000000000000002 110.988 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -60.55 -44.22 96.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.883 -0.599 . . . . 2.1499999999999999 109.886 -177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.58 -39.99 92.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 1.9199999999999999 109.985 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.18 -45.57 84.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.32000000000000001 110.223 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.5 ' O ' ' OG1' ' B' ' 56' ' ' THR . 0.5 OUTLIER -61.39 -39.6 91.27 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.226 -0.443 . . . . 1.26 110.625 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.4 mt -61.27 -42.6 98.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.65000000000000002 110.445 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.0 t -64.03 -43.67 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.41999999999999998 110.17 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.581 ' OE1' HD12 ' B' ' 81' ' ' LEU . 4.1 tt0 -62.57 -40.26 96.31 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.482 -0.487 . . . . 2.3500000000000001 110.121 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.5 ' OG1' ' O ' ' B' ' 52' ' ' HIS . 0.2 OUTLIER -57.7 -45.52 85.59 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.257 -0.275 . . . . 1.29 110.257 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -60.01 -41.1 91.41 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 109.27 -0.641 . . . . 2.96 109.27 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.618 ' O ' ' CB ' ' B' ' 62' ' ' ASP . 91.1 mt -61.42 -61.12 2.76 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 108.691 -0.855 . . . . 0.5 108.691 178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -53.24 -39.3 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 112.48 0.548 . . . . 0.79000000000000004 112.48 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -80.07 -48.72 12.81 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.037 -0.665 . . . . 2.5299999999999998 111.915 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.91 3.89 58.91 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 120.806 -0.711 . . . . 2.3199999999999998 113.433 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.618 ' CB ' ' O ' ' B' ' 58' ' ' LEU . 3.6 t70 -66.9 -87.65 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 117.925 0.862 . . . . 4.3499999999999996 111.338 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.482 ' N ' ' CG ' ' B' ' 62' ' ' ASP . . . -28.66 103.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.746 -1.115 . . . . 5.2000000000000002 111.505 -176.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.1 -54.87 31.18 Favored Glycine 0 CA--C 1.519 0.321 0 N-CA-C 109.796 -1.321 . . . . 5.29 109.796 178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' B' ' 66' ' ' GLY . 41.3 mt-10 -92.41 144.96 24.85 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.492 0.663 . . . . 7.54 111.51 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . 13.49 -106.59 0.01 OUTLIER Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.766 -1.106 . . . . 4.9199999999999999 115.671 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.499 ' O ' ' O ' ' B' ' 66' ' ' GLY . 14.4 mtmm -17.36 143.47 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.456 1.28 . . . . 7.3499999999999996 114.456 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.677 ' O ' ' O ' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -101.12 -25.25 14.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.918 -1.037 . . . . 6.4699999999999998 111.354 -179.045 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.677 ' O ' ' O ' ' B' ' 68' ' ' MET . 0.0 OUTLIER -17.54 -125.35 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.182 0.993 . . . . 5.6799999999999997 113.108 -178.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.435 ' H ' ' HB3' ' B' ' 69' ' ' LYS . 12.7 m -153.32 -174.89 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 N-CA-C 107.636 -1.246 . . . . 2.2000000000000002 107.636 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' B' ' 74' ' ' LEU . 18.7 p -133.36 163.19 29.89 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.546 -0.538 . . . . 0.88 109.546 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.79 -47.21 20.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.565 -0.902 . . . . 1.8500000000000001 108.565 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.629 HG13 HG21 ' B' ' 8' ' ' VAL . 54.2 t -61.11 -47.47 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 114.703 -1.135 . . . . 1.0 112.592 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.47 ' HB2' ' H ' ' B' ' 71' ' ' SER . 68.8 mt -64.1 -39.7 94.62 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.938 0.399 . . . . 1.1799999999999999 111.181 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.25 -46.0 88.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.535 -0.913 . . . . 0.55000000000000004 108.535 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' HIS . . . . . 0.478 ' CE1' ' NE2' ' B' ' 80' ' ' HIS . 41.9 t-80 -57.08 -45.89 82.95 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.408 -0.517 . . . . 1.0900000000000001 110.331 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.09 -40.78 96.97 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.919 0.39 . . . . 0.64000000000000001 110.653 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.6 -40.02 95.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 2.0499999999999998 109.617 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.16 -48.42 78.76 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.806 -0.634 . . . . 0.37 110.512 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.478 ' NE2' ' CE1' ' B' ' 76' ' ' HIS . 93.7 m-70 -66.47 -46.66 75.62 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.234 -0.586 . . . . 1.0800000000000001 110.85 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.581 HD12 ' OE1' ' B' ' 55' ' ' GLN . 85.3 mt -63.53 -45.18 91.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.437 -0.347 . . . . 0.63 111.344 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 81.6 mmm -62.6 -43.82 97.86 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 110.051 -0.351 . . . . 1.6599999999999999 110.051 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 10.9 p -63.35 -47.46 82.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.799 -0.637 . . . . 0.47999999999999998 110.447 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 22.2 m -62.16 -48.05 81.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.521 . . . . 1.3600000000000001 111.305 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 22.0 ttp -59.87 -45.84 91.2 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.875 0.369 . . . . 1.8600000000000001 110.334 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' C' ' 87' ' ' ALA . 14.0 tp -62.84 -46.02 89.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.67000000000000004 110.119 -179.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -56.72 -49.44 75.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.602 -0.726 . . . . 0.26000000000000001 109.659 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.452 HH21 ' HB3' ' B' ' 41' ' ' MET . 0.1 OUTLIER -60.92 -44.72 96.81 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.776 -1.102 . . . . 3.52 110.969 -178.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.49 -45.58 93.61 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 120.224 -0.591 . . . . 2.21 110.94 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 75.8 mt -65.28 -41.54 94.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.96 0.409 . . . . 0.44 110.504 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.7 -39.49 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.013 -0.539 . . . . 0.37 109.746 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 53.8 m -57.47 -45.32 84.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.39 . . . . 0.38 109.979 176.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -61.5 -43.09 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 2.0499999999999998 109.706 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.8 -42.26 97.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.973 -0.558 . . . . 0.33000000000000002 109.939 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.564 HD12 ' SD ' ' B' ' 41' ' ' MET . 84.4 mt -62.49 -42.85 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.455 -0.339 . . . . 0.35999999999999999 110.822 179.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.46 -38.85 78.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.03 -0.359 . . . . 1.97 110.03 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' C' ' 98' ' ' HIS . 34.3 mt -62.13 -41.31 98.12 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.851 -0.34 . . . . 0.28999999999999998 110.362 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.497 ' CE1' HD21 ' A' ' 97' ' ' LEU . 75.1 m80 -58.55 -39.39 80.1 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.736 -0.468 . . . . 1.04 109.736 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.37 -42.05 96.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 1.52 110.67 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.43 -35.74 81.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.55 -0.295 . . . . 1.8 110.796 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' B' ' 102' ' ' LYS . 11.2 mt -61.82 -40.84 96.69 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-O 119.005 -0.521 . . . . 1.0800000000000001 111.362 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.583 ' HZ2' ' HB3' ' B' ' 102' ' ' LYS . 0.0 OUTLIER 144.06 -99.73 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 O-C-N 124.128 0.892 . . . . 5.7800000000000002 109.645 178.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.582 ' O ' ' CZ ' ' B' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.22 -0.452 0 CA-C-N 115.258 -0.883 . . . . 4.9000000000000004 111.591 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' C' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 108.979 -0.749 . . . . 5.3700000000000001 108.979 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' C' ' 1' ' ' ALA . 0.6 OUTLIER -25.17 -89.44 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.986 0.804 . . . . 5.71 111.933 -178.231 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.471 ' O ' HG23 ' C' ' 7' ' ' VAL . 9.2 mt-10 -62.86 -59.37 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 3.2400000000000002 110.943 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.855 ' O ' HG23 ' C' ' 8' ' ' VAL . 63.9 mt -44.26 -42.45 6.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.396 -0.366 . . . . 0.81999999999999995 110.917 -177.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' C' ' 1' ' ' ALA . 40.8 tt0 -69.4 -45.89 68.17 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.203 0.525 . . . . 2.3900000000000001 110.361 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -69.27 -34.63 75.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.541 -0.754 . . . . 2.3999999999999999 109.865 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 3' ' ' GLU . 63.7 t -64.96 -41.34 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.955 -0.566 . . . . 0.42999999999999999 110.54 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.855 HG23 ' O ' ' C' ' 4' ' ' LEU . 81.9 t -60.92 -43.97 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.524 . . . . 0.33000000000000002 109.953 178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 32.3 ttm -58.12 -42.65 86.23 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.465 -0.569 . . . . 1.5700000000000001 109.465 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.21 -43.51 98.46 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.345 -1.102 . . . . 0.31 110.345 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.38 -43.41 97.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.633 0.254 . . . . 0.41999999999999998 110.733 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.19 -44.6 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 N-CA-C 109.85 -0.426 . . . . 0.34000000000000002 109.85 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.87 -44.6 98.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.505 . . . . 0.42999999999999999 110.117 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -61.33 -46.25 91.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.998 -0.547 . . . . 1.8999999999999999 109.718 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 12.1 p -60.16 -43.29 95.9 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.838 -0.43 . . . . 1.28 109.838 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.23 -43.06 99.11 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.627 -0.989 . . . . 0.31 110.627 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -63.47 -39.72 95.22 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.721 -0.474 . . . . 2.4100000000000001 109.721 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.46 72.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.34999999999999998 109.916 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.53 -46.13 91.29 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.471 -0.566 . . . . 2.8999999999999999 109.471 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.75 -47.37 70.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 1.3600000000000001 110.435 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.91 -42.33 99.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.37 109.89 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -50.32 74.26 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.18 -0.464 . . . . 0.35999999999999999 110.828 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -58.87 -41.58 87.4 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.032 -0.667 . . . . 0.88 110.103 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.45 92.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.66 -0.496 . . . . 0.32000000000000001 109.66 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.2 90.62 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.487 -0.56 . . . . 0.27000000000000002 109.487 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.42 -43.95 97.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.651 -0.704 . . . . 0.45000000000000001 109.83 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.25 -41.04 78.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.25 -0.432 . . . . 2.1099999999999999 110.058 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -58.79 -41.93 87.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 1.8600000000000001 109.937 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.43 94.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.894 -0.593 . . . . 0.31 110.254 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.01 -31.93 71.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.306 -0.406 . . . . 1.75 110.388 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -81.1 -1.51 44.56 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.466 -0.493 . . . . 2.1400000000000001 110.241 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.37 18.55 62.17 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.784 -0.526 . . . . 0.34999999999999998 111.784 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -101.19 81.49 2.23 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.65 -0.324 . . . . 1.3999999999999999 111.14 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.443 ' CZ ' ' O ' ' C' ' 103' ' ' ALA . 65.6 m-85 -66.49 -33.9 76.73 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 111.622 0.23 . . . . 0.57999999999999996 111.622 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.07 -49.84 74.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 0.34000000000000002 110.779 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.75 83.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 0.32000000000000001 110.392 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' C' ' 41' ' ' MET . . . -60.19 -49.86 75.96 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.31 -0.556 . . . . 0.33000000000000002 109.679 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -57.9 -45.06 87.05 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.51 -0.314 . . . . 2.9300000000000002 111.176 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.91 -43.01 99.72 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.6 -0.44 . . . . 0.34000000000000002 110.681 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 77.0 mmm -65.26 -41.04 94.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.834 -0.621 . . . . 1.4399999999999999 110.679 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.558 ' SD ' HD12 ' C' ' 95' ' ' ILE . 9.8 mtm -63.15 -43.09 99.3 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.37 -0.532 . . . . 2.4500000000000002 111.265 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -60.24 -45.88 91.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.983 -0.553 . . . . 1.95 109.808 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -65.88 -39.61 90.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 2.1899999999999999 110.617 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -46.39 84.34 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.496 -0.482 . . . . 1.3899999999999999 109.875 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' C' ' 88' ' ' ARG . 14.1 ttt180 -61.92 -42.77 99.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.977 -0.556 . . . . 3.0800000000000001 111.091 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -40.52 93.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.865 0.364 . . . . 2.5499999999999998 110.037 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.54 98.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.829 -0.623 . . . . 0.33000000000000002 109.951 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.39 -41.72 88.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.156 -0.475 . . . . 0.52000000000000002 111.006 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.46 -44.33 95.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.801 -0.636 . . . . 2.1499999999999999 109.915 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -65.69 -39.98 91.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.995 -0.548 . . . . 1.9299999999999999 109.93 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.72 84.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.569 . . . . 0.32000000000000001 110.216 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.494 ' O ' ' OG1' ' C' ' 56' ' ' THR . 0.5 OUTLIER -61.34 -39.6 91.17 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.202 -0.454 . . . . 1.27 110.687 179.69 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.31 -42.52 98.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.65000000000000002 110.455 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -64.12 -43.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.41999999999999998 110.131 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.569 ' OE1' HD12 ' C' ' 81' ' ' LEU . 4.1 tt0 -62.56 -40.21 96.12 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.451 -0.5 . . . . 2.3500000000000001 110.172 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' C' ' 52' ' ' HIS . 0.2 OUTLIER -57.77 -45.45 85.95 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 110.271 -0.27 . . . . 1.29 110.271 -179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -60.08 -41.19 91.91 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 109.253 -0.647 . . . . 2.96 109.253 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.615 ' O ' ' CB ' ' C' ' 62' ' ' ASP . 90.2 mt -61.23 -61.28 2.67 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 119.626 -0.83 . . . . 0.5 108.818 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -53.14 -39.35 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 112.399 0.518 . . . . 0.79000000000000004 112.399 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -80.05 -48.8 12.71 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.042 -0.663 . . . . 2.5299999999999998 111.882 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.81 3.83 59.07 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 120.779 -0.724 . . . . 2.3199999999999998 113.384 -176.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.615 ' CB ' ' O ' ' C' ' 58' ' ' LEU . 3.5 t70 -66.6 -87.74 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.922 0.861 . . . . 4.3499999999999996 111.32 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' C' ' 62' ' ' ASP . . . -29.11 104.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.839 -1.073 . . . . 5.2000000000000002 111.404 -176.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -56.5 -53.29 44.52 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 109.778 -1.329 . . . . 5.29 109.778 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' C' ' 66' ' ' GLY . 40.3 mt-10 -92.89 144.1 25.6 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.456 0.646 . . . . 7.5499999999999998 111.497 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . 13.71 -106.7 0.01 OUTLIER Glycine 0 CA--C 1.54 1.6 0 CA-C-N 114.736 -1.12 . . . . 4.9199999999999999 115.69 178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' C' ' 66' ' ' GLY . 15.6 mtmm -17.37 143.32 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.493 1.294 . . . . 7.3499999999999996 114.493 -173.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . 0.682 ' O ' ' O ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -100.6 -25.54 14.13 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.903 -1.044 . . . . 6.4699999999999998 111.406 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.682 ' O ' ' O ' ' C' ' 68' ' ' MET . 0.0 OUTLIER -17.16 -125.93 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.343 1.057 . . . . 5.6699999999999999 113.174 -178.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.481 ' H ' ' HB3' ' C' ' 69' ' ' LYS . 13.0 m -152.9 -175.11 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 N-CA-C 107.66 -1.237 . . . . 2.2000000000000002 107.66 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.474 ' H ' ' HB2' ' C' ' 74' ' ' LEU . 19.7 p -132.89 163.08 29.92 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.441 -0.578 . . . . 0.87 109.441 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.07 -46.87 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.613 -0.884 . . . . 1.8500000000000001 108.613 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.626 HG13 HG21 ' C' ' 8' ' ' VAL . 53.2 t -61.04 -47.55 93.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 114.739 -1.119 . . . . 1.0 112.577 -179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.474 ' HB2' ' H ' ' C' ' 71' ' ' SER . 69.5 mt -64.06 -39.58 94.38 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.013 0.435 . . . . 1.1799999999999999 111.154 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.21 -45.93 88.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 N-CA-C 108.586 -0.894 . . . . 0.55000000000000004 108.586 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' HIS . . . . . 0.472 ' CE1' ' NE2' ' C' ' 80' ' ' HIS . 41.9 t-80 -57.12 -45.9 83.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.364 -0.535 . . . . 1.0900000000000001 110.348 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.85 97.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.911 0.386 . . . . 0.64000000000000001 110.669 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.55 -39.99 95.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.04 -0.527 . . . . 2.0499999999999998 109.628 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 38.7 tp -57.19 -48.4 78.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.846 -0.615 . . . . 0.35999999999999999 110.496 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.472 ' NE2' ' CE1' ' C' ' 76' ' ' HIS . 93.7 m-70 -66.57 -46.57 75.56 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.266 -0.574 . . . . 1.0800000000000001 110.882 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.569 HD12 ' OE1' ' C' ' 55' ' ' GLN . 85.1 mt -63.58 -45.12 91.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.428 -0.351 . . . . 0.63 111.361 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 81.7 mmm -62.57 -43.89 97.7 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 110.044 -0.354 . . . . 1.6599999999999999 110.044 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 11.0 p -63.3 -47.42 82.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.851 -0.613 . . . . 0.47999999999999998 110.482 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 22.5 m -62.2 -48.1 81.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 1.3600000000000001 111.289 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 21.8 ttp -59.79 -45.88 90.93 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.878 0.371 . . . . 1.8600000000000001 110.34 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 87' ' ' ALA . 13.7 tp -62.9 -46.0 89.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.084 -0.507 . . . . 0.67000000000000004 110.185 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' B' ' 86' ' ' LEU . . . -56.67 -49.43 75.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.605 -0.725 . . . . 0.26000000000000001 109.596 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.455 HH21 ' HB3' ' C' ' 41' ' ' MET . 0.1 OUTLIER -60.97 -44.68 96.99 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.788 -1.096 . . . . 3.52 111.005 -178.568 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.55 -45.59 93.53 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 120.208 -0.597 . . . . 2.21 110.87 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.26 -41.54 94.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.974 0.416 . . . . 0.44 110.511 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.64 -39.47 79.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.052 -0.522 . . . . 0.37 109.693 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 54.6 m -57.57 -45.33 85.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.38 109.956 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -61.47 -43.02 99.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 2.0499999999999998 109.717 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.406 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 23.9 mt -60.86 -42.29 97.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.969 -0.559 . . . . 0.33000000000000002 109.886 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.558 HD12 ' SD ' ' C' ' 41' ' ' MET . 84.0 mt -62.47 -42.96 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.45 -0.341 . . . . 0.35999999999999999 110.777 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.25 -38.96 77.93 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.945 -0.391 . . . . 1.97 109.945 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.474 HD21 ' CE1' ' A' ' 98' ' ' HIS . 35.1 mt -62.3 -41.1 98.24 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.779 -0.368 . . . . 0.28999999999999998 110.281 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.477 ' CE1' HD21 ' B' ' 97' ' ' LEU . 74.2 m80 -58.6 -39.55 80.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.733 -0.469 . . . . 1.04 109.733 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -64.23 -42.45 96.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 1.52 110.358 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.66 -32.1 73.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.841 -0.343 . . . . 1.8 110.093 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' C' ' 102' ' ' LYS . 14.2 mt -75.29 12.7 0.88 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.319 0.859 . . . . 1.0800000000000001 113.319 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' C' ' 101' ' ' LEU . 0.0 OUTLIER 87.88 -109.35 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.314 0.645 . . . . 5.7800000000000002 110.847 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' C' ' 102' ' ' LYS . . . . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 118.62 -0.705 . . . . 4.9000000000000004 111.196 -177.931 . . . . . . . . 1 1 . 1 stop_ save_