data_1i5t_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 1i5t _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.713 0 N-CA-C 108.621 -1.792 . . . . 10.0 108.621 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -87.7 120.61 29.19 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 124.504 1.122 . . . . 10.0 111.083 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -32.87 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 118.396 -0.812 . . . . 10.0 112.524 170.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.33 -49.5 63.86 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 121.366 1.894 . . . . 10.0 111.224 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -52.07 -45.36 64.75 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.14 -43.43 97.09 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.642 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -64.83 -46.32 82.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 O-C-N 121.98 -0.718 . . . . 10.0 109.581 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -57.82 -48.74 78.88 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 110.272 -0.27 . . . . 10.0 110.272 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.17 -43.73 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -60.63 -50.28 74.16 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.254 0.479 . . . . 10.0 110.775 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.49 -48.45 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.13 -36.82 72.24 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.451 0.908 . . . . 10.0 113.451 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . 0.25 0.1 OUTLIER -142.57 28.02 1.66 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 117.352 2.352 . . . . 10.0 117.352 -173.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.8 m -133.92 -49.8 0.82 Allowed 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.562 1.528 . . . . 10.0 111.242 161.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.37 -18.12 1.48 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.2 1.8 . . . . 10.0 115.257 -165.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -50.62 -52.04 43.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.674 1.189 . . . . 10.0 110.576 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 p -125.54 11.05 7.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.857 1.263 . . . . 10.0 111.02 -165.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -134.11 173.36 11.67 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.991 0.814 . . . . 10.0 110.208 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.9 p -148.61 149.58 31.79 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 127.681 2.392 . . . . 10.0 105.745 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.4 m -116.09 -17.38 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.403 1.481 . . . . 10.0 111.261 172.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -79.4 154.97 28.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 127.435 2.294 . . . . 10.0 110.277 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -64.18 152.79 39.75 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 162.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.27 -37.21 2.39 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 121.456 -0.778 . . . . 10.0 112.269 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.17 105.46 0.29 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-N 117.898 0.849 . . . . 10.0 112.598 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -48.82 137.24 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 126.643 1.977 . . . . 10.0 112.091 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.17 121.99 7.81 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.587 -1.264 . . . . 10.0 107.587 162.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -107.21 -146.19 0.4 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.676 -1.602 . . . . 10.0 106.676 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 m -60.8 -39.24 88.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.625 -0.672 . . . . 10.0 111.336 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.09 155.24 20.66 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 108.823 -1.711 . . . . 10.0 108.823 170.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.65 159.84 38.6 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.381 2.054 . . . . 10.0 111.486 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -69.45 123.53 21.51 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.31 -41.89 89.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 117.245 -1.36 . . . . 10.0 110.42 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 13.86 84.69 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.185 2.194 . . . . 10.0 113.333 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.49 61.14 3.48 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.269 -0.732 . . . . 10.0 111.269 -173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 tp -74.78 -61.75 1.77 Allowed 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.854 0.862 . . . . 10.0 110.761 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -60.17 123.31 16.78 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.233 0.613 . . . . 10.0 109.995 -173.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.25 -15.61 39.16 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 124.045 0.831 . . . . 10.0 111.437 -174.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 -97.68 165.82 11.78 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.559 1.18 . . . . 10.0 110.129 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -90.36 168.61 11.75 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.052 -0.977 . . . . 10.0 112.667 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.1 p -49.1 111.97 0.56 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.832 1.653 . . . . 10.0 110.778 167.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.09 54.13 4.93 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 123.538 0.589 . . . . 10.0 112.807 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -103.21 -37.3 7.76 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.263 1.025 . . . . 10.0 112.068 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.24 112.58 4.03 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-O 118.813 -0.613 . . . . 10.0 110.892 -172.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.79 122.64 7.9 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 121.863 1.708 . . . . 10.0 110.194 -171.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 147.69 -67.97 0.38 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.217 -1.553 . . . . 10.0 109.217 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -69.98 146.25 51.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 117.194 0.497 . . . . 10.0 110.923 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -80.37 108.12 13.73 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.776 0.83 . . . . 10.0 109.709 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.63 172.11 2.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.106 0.562 . . . . 10.0 110.851 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.7 p -109.93 155.65 21.47 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.057 0.943 . . . . 10.0 109.977 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -47.02 -59.37 3.16 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 123.348 0.659 . . . . 10.0 109.433 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.36 -50.22 22.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.559 1.944 . . . . 10.0 111.782 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -58.37 -44.88 89.06 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.353 0.597 . . . . 10.0 109.593 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -64.71 -39.34 93.49 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.06 0.544 . . . . 10.0 111.758 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -56.86 -43.61 81.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.835 1.254 . . . . 10.0 108.513 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -58.65 -56.6 20.09 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.276 1.03 . . . . 10.0 111.589 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.6 14.85 60.94 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 116.746 1.458 . . . . 10.0 116.746 162.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.6 pt -84.28 171.2 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 119.293 1.546 . . . . 10.0 110.865 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.9 m -95.85 137.18 35.28 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.887 1.675 . . . . 10.0 109.559 170.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -83.65 134.24 34.79 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.932 0.493 . . . . 10.0 110.613 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -126.02 -94.55 0.47 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.609 1.164 . . . . 10.0 109.142 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -147.76 -52.94 0.2 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.205 1.402 . . . . 10.0 108.376 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -47.79 -47.7 30.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 122.164 0.983 . . . . 10.0 110.549 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 p -55.76 -41.47 74.04 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.211 1.005 . . . . 10.0 110.847 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.45 -43.03 33.76 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.021 -0.425 . . . . 10.0 109.923 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 mtp -44.18 -43.43 7.12 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.473 0.709 . . . . 10.0 110.921 169.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -80.65 -43.7 20.01 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.236 0.614 . . . . 10.0 111.568 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.451 ' HH ' ' C ' ' A' ' 105' ' ' CYN . 17.9 t80 -66.0 -56.88 9.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.916 1.686 . . . . 10.0 109.542 -175.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -53.82 -22.55 9.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.247 -0.882 . . . . 10.0 111.018 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -73.22 -42.34 62.73 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.68 1.127 . . . . 10.0 111.856 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -153.92 93.03 3.02 Favored Pre-proline 0 C--O 1.236 0.384 0 C-N-CA 123.992 0.917 . . . . 10.0 108.893 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -57.56 -38.17 94.65 Favored 'Trans proline' 0 N--CA 1.449 -1.106 0 C-N-CA 121.205 1.27 . . . . 10.0 109.756 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -64.16 -32.46 74.04 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -74.67 -43.23 56.29 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 108.554 -0.906 . . . . 10.0 108.554 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -54.67 23.52 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.418 177.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.8 mt -117.74 97.4 50.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 126.135 1.774 . . . . 10.0 106.838 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.06 93.5 0.55 Allowed 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.823 1.682 . . . . 10.0 111.122 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.06 59.22 0.26 Allowed Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.359 0.98 . . . . 10.0 111.253 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -88.53 -179.26 6.02 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.549 1.14 . . . . 10.0 110.112 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.48 165.16 3.88 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 149.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . 0.319 38.9 ttm -66.37 -84.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.254 1.205 . . . . 10.0 114.254 -156.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 19.0 tt -150.11 -50.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 130.687 3.595 . . . . 10.0 108.907 -13.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -88.59 153.2 21.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 105.928 -1.879 . . . . 10.0 105.928 151.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.48 -53.3 50.25 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.003 0.43 . . . . 10.0 110.285 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 164.07 162.23 14.64 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 107.641 -2.183 . . . . 10.0 107.641 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.7 mm -74.2 88.12 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 106.623 -1.621 . . . . 10.0 106.623 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -57.39 -36.8 71.74 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.557 0.743 . . . . 10.0 111.324 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -75.28 103.52 5.47 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.235 0.614 . . . . 10.0 111.391 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -46.12 -43.1 14.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.211 1.004 . . . . 10.0 111.843 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -56.3 17.58 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.212 0.46 . . . . 10.0 109.806 174.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -55.17 -42.73 73.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 -173.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -56.84 -60.79 3.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 174.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.8 -46.82 77.95 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.705 0.684 . . . . 10.0 111.664 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -54.64 -57.0 13.16 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.277 1.831 . . . . 10.0 109.278 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.2 tp -51.73 -55.46 19.53 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.855 0.862 . . . . 10.0 111.487 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.07 -44.73 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 123.764 0.826 . . . . 10.0 110.319 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.66 -47.77 73.14 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.523 0.329 . . . . 10.0 110.507 174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.24 -56.83 16.15 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.497 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.1 mt -52.98 -39.1 62.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.91 0.777 . . . . 10.0 110.659 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -51.93 -49.02 63.93 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.596 0.758 . . . . 10.0 109.253 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -61.73 -63.82 1.14 Allowed 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.65 172.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.93 -46.98 52.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.254 1.422 . . . . 10.0 112.738 -167.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.1 p -72.46 -16.58 61.81 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.931 -0.557 . . . . 10.0 112.113 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -96.48 -38.75 9.88 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.262 1.425 . . . . 10.0 110.863 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 C--O 1.263 1.792 0 C-N-CA 129.556 3.142 . . . . 10.0 110.094 -175.666 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYN . . . . . 0.451 ' C ' ' HH ' ' A' ' 67' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.713 0 N-CA-C 108.621 -1.792 . . . . 10.0 108.621 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -87.7 120.61 29.19 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 124.504 1.122 . . . . 10.0 111.083 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 3' ' ' VAL . 0.2 OUTLIER -57.16 -32.87 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 118.396 -0.812 . . . . 10.0 112.524 170.293 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.33 -49.5 63.86 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 121.366 1.894 . . . . 10.0 111.224 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -52.07 -45.36 64.75 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.14 -43.43 97.09 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.642 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -64.83 -46.32 82.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 O-C-N 121.98 -0.718 . . . . 10.0 109.581 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -57.82 -48.74 78.88 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 110.272 -0.27 . . . . 10.0 110.272 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.721 HG23 ' HE3' ' A' ' 13' ' ' LYS . 59.0 mt -58.17 -43.73 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 60.2 t80 -60.63 -50.28 74.16 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.254 0.479 . . . . 10.0 110.775 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.49 -48.45 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.13 -36.82 72.24 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.451 0.908 . . . . 10.0 113.451 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.721 ' HE3' HG23 ' A' ' 9' ' ' ILE 0.25 0.1 OUTLIER -142.57 28.02 1.66 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 117.352 2.352 . . . . 10.0 117.352 -173.447 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 56.8 m -133.92 -49.8 0.82 Allowed 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.562 1.528 . . . . 10.0 111.242 161.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.37 -18.12 1.48 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.2 1.8 . . . . 10.0 115.257 -165.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -50.62 -52.04 43.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.674 1.189 . . . . 10.0 110.576 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 p -125.54 11.05 7.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.857 1.263 . . . . 10.0 111.02 -165.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -134.11 173.36 11.67 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.991 0.814 . . . . 10.0 110.208 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.9 p -148.61 149.58 31.79 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 127.681 2.392 . . . . 10.0 105.745 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.587 HG21 ' HB1' ' A' ' 101' ' ' ALA . 16.4 m -116.09 -17.38 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.403 1.481 . . . . 10.0 111.261 172.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -79.4 154.97 28.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 127.435 2.294 . . . . 10.0 110.277 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -64.18 152.79 39.75 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 162.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.27 -37.21 2.39 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 121.456 -0.778 . . . . 10.0 112.269 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.17 105.46 0.29 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-N 117.898 0.849 . . . . 10.0 112.598 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -48.82 137.24 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 126.643 1.977 . . . . 10.0 112.091 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.17 121.99 7.81 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.587 -1.264 . . . . 10.0 107.587 162.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -107.21 -146.19 0.4 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.676 -1.602 . . . . 10.0 106.676 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 m -60.8 -39.24 88.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.625 -0.672 . . . . 10.0 111.336 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.09 155.24 20.66 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 108.823 -1.711 . . . . 10.0 108.823 170.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.65 159.84 38.6 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.381 2.054 . . . . 10.0 111.486 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -69.45 123.53 21.51 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.31 -41.89 89.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 117.245 -1.36 . . . . 10.0 110.42 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 13.86 84.69 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.185 2.194 . . . . 10.0 113.333 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.49 61.14 3.48 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.269 -0.732 . . . . 10.0 111.269 -173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 tp -74.78 -61.75 1.77 Allowed 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.854 0.862 . . . . 10.0 110.761 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -60.17 123.31 16.78 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.233 0.613 . . . . 10.0 109.995 -173.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.25 -15.61 39.16 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 124.045 0.831 . . . . 10.0 111.437 -174.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 -97.68 165.82 11.78 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.559 1.18 . . . . 10.0 110.129 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -90.36 168.61 11.75 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.052 -0.977 . . . . 10.0 112.667 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.1 p -49.1 111.97 0.56 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.832 1.653 . . . . 10.0 110.778 167.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.09 54.13 4.93 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 123.538 0.589 . . . . 10.0 112.807 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -103.21 -37.3 7.76 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.263 1.025 . . . . 10.0 112.068 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.24 112.58 4.03 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-O 118.813 -0.613 . . . . 10.0 110.892 -172.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.79 122.64 7.9 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 121.863 1.708 . . . . 10.0 110.194 -171.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 147.69 -67.97 0.38 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.217 -1.553 . . . . 10.0 109.217 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -69.98 146.25 51.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 117.194 0.497 . . . . 10.0 110.923 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -80.37 108.12 13.73 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.776 0.83 . . . . 10.0 109.709 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.63 172.11 2.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.106 0.562 . . . . 10.0 110.851 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.7 p -109.93 155.65 21.47 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.057 0.943 . . . . 10.0 109.977 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -47.02 -59.37 3.16 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 123.348 0.659 . . . . 10.0 109.433 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.36 -50.22 22.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.559 1.944 . . . . 10.0 111.782 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -58.37 -44.88 89.06 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.353 0.597 . . . . 10.0 109.593 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -64.71 -39.34 93.49 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.06 0.544 . . . . 10.0 111.758 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -56.86 -43.61 81.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.835 1.254 . . . . 10.0 108.513 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -58.65 -56.6 20.09 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.276 1.03 . . . . 10.0 111.589 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.6 14.85 60.94 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 116.746 1.458 . . . . 10.0 116.746 162.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.6 pt -84.28 171.2 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 119.293 1.546 . . . . 10.0 110.865 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.9 m -95.85 137.18 35.28 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.887 1.675 . . . . 10.0 109.559 170.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -83.65 134.24 34.79 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.932 0.493 . . . . 10.0 110.613 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -126.02 -94.55 0.47 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.609 1.164 . . . . 10.0 109.142 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -147.76 -52.94 0.2 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.205 1.402 . . . . 10.0 108.376 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -47.79 -47.7 30.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 122.164 0.983 . . . . 10.0 110.549 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 p -55.76 -41.47 74.04 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.211 1.005 . . . . 10.0 110.847 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.45 -43.03 33.76 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.021 -0.425 . . . . 10.0 109.923 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 mtp -44.18 -43.43 7.12 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.473 0.709 . . . . 10.0 110.921 169.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -80.65 -43.7 20.01 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.236 0.614 . . . . 10.0 111.568 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.0 -56.88 9.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.916 1.686 . . . . 10.0 109.542 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -53.82 -22.55 9.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.247 -0.882 . . . . 10.0 111.018 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -73.22 -42.34 62.73 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.68 1.127 . . . . 10.0 111.856 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -153.92 93.03 3.02 Favored Pre-proline 0 C--O 1.236 0.384 0 C-N-CA 123.992 0.917 . . . . 10.0 108.893 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -57.56 -38.17 94.65 Favored 'Trans proline' 0 N--CA 1.449 -1.106 0 C-N-CA 121.205 1.27 . . . . 10.0 109.756 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -64.16 -32.46 74.04 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -74.67 -43.23 56.29 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 108.554 -0.906 . . . . 10.0 108.554 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -54.67 23.52 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.418 177.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.8 mt -117.74 97.4 50.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 126.135 1.774 . . . . 10.0 106.838 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.06 93.5 0.55 Allowed 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.823 1.682 . . . . 10.0 111.122 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.06 59.22 0.26 Allowed Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.359 0.98 . . . . 10.0 111.253 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -88.53 -179.26 6.02 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.549 1.14 . . . . 10.0 110.112 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.48 165.16 3.88 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 149.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.454 ' HB3' ' HA ' ' A' ' 81' ' ' ILE 0.319 38.9 ttm -66.37 -84.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.254 1.205 . . . . 10.0 114.254 -156.47 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.454 ' HA ' ' HB3' ' A' ' 80' ' ' MET . 19.0 tt -150.11 -50.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 130.687 3.595 . . . . 10.0 108.907 -13.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -88.59 153.2 21.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 105.928 -1.879 . . . . 10.0 105.928 151.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.48 -53.3 50.25 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.003 0.43 . . . . 10.0 110.285 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 164.07 162.23 14.64 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 107.641 -2.183 . . . . 10.0 107.641 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.7 mm -74.2 88.12 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 106.623 -1.621 . . . . 10.0 106.623 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -57.39 -36.8 71.74 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.557 0.743 . . . . 10.0 111.324 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -75.28 103.52 5.47 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.235 0.614 . . . . 10.0 111.391 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -46.12 -43.1 14.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.211 1.004 . . . . 10.0 111.843 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -56.3 17.58 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.212 0.46 . . . . 10.0 109.806 174.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -55.17 -42.73 73.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 -173.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -56.84 -60.79 3.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 174.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.8 -46.82 77.95 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.705 0.684 . . . . 10.0 111.664 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -54.64 -57.0 13.16 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.277 1.831 . . . . 10.0 109.278 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.2 tp -51.73 -55.46 19.53 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.855 0.862 . . . . 10.0 111.487 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.07 -44.73 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 123.764 0.826 . . . . 10.0 110.319 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.66 -47.77 73.14 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.523 0.329 . . . . 10.0 110.507 174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.647 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 4.5 t80 -56.24 -56.83 16.15 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.497 172.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.1 mt -52.98 -39.1 62.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.91 0.777 . . . . 10.0 110.659 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -51.93 -49.02 63.93 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.596 0.758 . . . . 10.0 109.253 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -61.73 -63.82 1.14 Allowed 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.65 172.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.647 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -49.93 -46.98 52.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.254 1.422 . . . . 10.0 112.738 -167.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.1 p -72.46 -16.58 61.81 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.931 -0.557 . . . . 10.0 112.113 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -96.48 -38.75 9.88 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.262 1.425 . . . . 10.0 110.863 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 C--O 1.263 1.792 0 C-N-CA 129.556 3.142 . . . . 10.0 110.094 -175.666 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 0.664 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.713 0 N-CA-C 108.621 -1.792 . . . . 10.0 108.621 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -87.7 120.61 29.19 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 124.504 1.122 . . . . 10.0 111.083 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 3' ' ' VAL . 0.2 OUTLIER -57.16 -32.87 41.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-O 118.396 -0.812 . . . . 10.0 112.524 170.293 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -67.33 -49.5 63.86 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 121.366 1.894 . . . . 10.0 111.224 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt -52.07 -45.36 64.75 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 169.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.14 -43.43 97.09 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.658 -0.701 . . . . 10.0 111.642 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -64.83 -46.32 82.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 O-C-N 121.98 -0.718 . . . . 10.0 109.581 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -57.82 -48.74 78.88 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 110.272 -0.27 . . . . 10.0 110.272 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.721 HG23 ' HE3' ' A' ' 13' ' ' LYS . 59.0 mt -58.17 -43.73 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CD1' ' HB2' ' A' ' 14' ' ' CYS . 60.2 t80 -60.63 -50.28 74.16 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.254 0.479 . . . . 10.0 110.775 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.49 -48.45 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 110.051 -0.351 . . . . 10.0 110.051 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.13 -36.82 72.24 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.451 0.908 . . . . 10.0 113.451 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.721 ' HE3' HG23 ' A' ' 9' ' ' ILE 0.25 0.1 OUTLIER -142.57 28.02 1.66 Allowed 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 117.352 2.352 . . . . 10.0 117.352 -173.447 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . 56.8 m -133.92 -49.8 0.82 Allowed 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 120.562 1.528 . . . . 10.0 111.242 161.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.37 -18.12 1.48 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.2 1.8 . . . . 10.0 115.257 -165.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -50.62 -52.04 43.22 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.674 1.189 . . . . 10.0 110.576 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 p -125.54 11.05 7.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.857 1.263 . . . . 10.0 111.02 -165.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -134.11 173.36 11.67 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.991 0.814 . . . . 10.0 110.208 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.9 p -148.61 149.58 31.79 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 127.681 2.392 . . . . 10.0 105.745 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.587 HG21 ' HB1' ' A' ' 101' ' ' ALA . 16.4 m -116.09 -17.38 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 125.403 1.481 . . . . 10.0 111.261 172.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -79.4 154.97 28.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 127.435 2.294 . . . . 10.0 110.277 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -64.18 152.79 39.75 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 109.125 -0.694 . . . . 10.0 109.125 162.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.27 -37.21 2.39 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 121.456 -0.778 . . . . 10.0 112.269 178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.17 105.46 0.29 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-N 117.898 0.849 . . . . 10.0 112.598 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -48.82 137.24 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 126.643 1.977 . . . . 10.0 112.091 -175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.17 121.99 7.81 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.587 -1.264 . . . . 10.0 107.587 162.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -107.21 -146.19 0.4 Allowed 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.676 -1.602 . . . . 10.0 106.676 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 m -60.8 -39.24 88.17 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.625 -0.672 . . . . 10.0 111.336 172.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.09 155.24 20.66 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 108.823 -1.711 . . . . 10.0 108.823 170.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.65 159.84 38.6 Favored 'Trans proline' 0 N--CA 1.449 -1.141 0 C-N-CA 122.381 2.054 . . . . 10.0 111.486 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -69.45 123.53 21.51 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.31 -41.89 89.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 117.245 -1.36 . . . . 10.0 110.42 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 13.86 84.69 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.185 2.194 . . . . 10.0 113.333 175.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.49 61.14 3.48 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.269 -0.732 . . . . 10.0 111.269 -173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 tp -74.78 -61.75 1.77 Allowed 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.854 0.862 . . . . 10.0 110.761 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.9 m-30 -60.17 123.31 16.78 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.233 0.613 . . . . 10.0 109.995 -173.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 107.25 -15.61 39.16 Favored Glycine 0 CA--C 1.527 0.794 0 C-N-CA 124.045 0.831 . . . . 10.0 111.437 -174.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.3 mtm-85 -97.68 165.82 11.78 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 118.559 1.18 . . . . 10.0 110.129 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -90.36 168.61 11.75 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.052 -0.977 . . . . 10.0 112.667 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.1 p -49.1 111.97 0.56 Allowed 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.832 1.653 . . . . 10.0 110.778 167.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.09 54.13 4.93 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 123.538 0.589 . . . . 10.0 112.807 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -103.21 -37.3 7.76 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.263 1.025 . . . . 10.0 112.068 173.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.24 112.58 4.03 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-O 118.813 -0.613 . . . . 10.0 110.892 -172.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.79 122.64 7.9 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 121.863 1.708 . . . . 10.0 110.194 -171.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 147.69 -67.97 0.38 Allowed Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.217 -1.553 . . . . 10.0 109.217 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -69.98 146.25 51.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 117.194 0.497 . . . . 10.0 110.923 -177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.0 m -80.37 108.12 13.73 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.776 0.83 . . . . 10.0 109.709 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.63 172.11 2.9 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.106 0.562 . . . . 10.0 110.851 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.7 p -109.93 155.65 21.47 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 124.057 0.943 . . . . 10.0 109.977 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -47.02 -59.37 3.16 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 123.348 0.659 . . . . 10.0 109.433 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.36 -50.22 22.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 126.559 1.944 . . . . 10.0 111.782 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -58.37 -44.88 89.06 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.353 0.597 . . . . 10.0 109.593 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -64.71 -39.34 93.49 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.06 0.544 . . . . 10.0 111.758 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -56.86 -43.61 81.37 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.835 1.254 . . . . 10.0 108.513 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -58.65 -56.6 20.09 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.276 1.03 . . . . 10.0 111.589 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.6 14.85 60.94 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 116.746 1.458 . . . . 10.0 116.746 162.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.6 pt -84.28 171.2 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 119.293 1.546 . . . . 10.0 110.865 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.9 m -95.85 137.18 35.28 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.887 1.675 . . . . 10.0 109.559 170.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -83.65 134.24 34.79 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 122.932 0.493 . . . . 10.0 110.613 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -126.02 -94.55 0.47 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.609 1.164 . . . . 10.0 109.142 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -147.76 -52.94 0.2 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.205 1.402 . . . . 10.0 108.376 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -47.79 -47.7 30.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 122.164 0.983 . . . . 10.0 110.549 172.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.5 p -55.76 -41.47 74.04 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.211 1.005 . . . . 10.0 110.847 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.45 -43.03 33.76 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 122.021 -0.425 . . . . 10.0 109.923 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 mtp -44.18 -43.43 7.12 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.473 0.709 . . . . 10.0 110.921 169.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -80.65 -43.7 20.01 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.236 0.614 . . . . 10.0 111.568 -178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.0 -56.88 9.36 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 125.916 1.686 . . . . 10.0 109.542 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.2 mt -53.82 -22.55 9.88 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 118.247 -0.882 . . . . 10.0 111.018 176.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -73.22 -42.34 62.73 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.68 1.127 . . . . 10.0 111.856 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -153.92 93.03 3.02 Favored Pre-proline 0 C--O 1.236 0.384 0 C-N-CA 123.992 0.917 . . . . 10.0 108.893 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -57.56 -38.17 94.65 Favored 'Trans proline' 0 N--CA 1.449 -1.106 0 C-N-CA 121.205 1.27 . . . . 10.0 109.756 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -64.16 -32.46 74.04 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 112.972 0.73 . . . . 10.0 112.972 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -74.67 -43.23 56.29 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 108.554 -0.906 . . . . 10.0 108.554 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -54.67 23.52 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.418 177.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.8 mt -117.74 97.4 50.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 126.135 1.774 . . . . 10.0 106.838 -175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.06 93.5 0.55 Allowed 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.823 1.682 . . . . 10.0 111.122 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.06 59.22 0.26 Allowed Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.359 0.98 . . . . 10.0 111.253 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -88.53 -179.26 6.02 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.549 1.14 . . . . 10.0 110.112 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.48 165.16 3.88 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 149.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.454 ' HB3' ' HA ' ' A' ' 81' ' ' ILE 0.319 38.9 ttm -66.37 -84.25 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.254 1.205 . . . . 10.0 114.254 -156.47 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.454 ' HA ' ' HB3' ' A' ' 80' ' ' MET . 19.0 tt -150.11 -50.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 130.687 3.595 . . . . 10.0 108.907 -13.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -88.59 153.2 21.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 105.928 -1.879 . . . . 10.0 105.928 151.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.48 -53.3 50.25 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.003 0.43 . . . . 10.0 110.285 -175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 164.07 162.23 14.64 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 107.641 -2.183 . . . . 10.0 107.641 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.7 mm -74.2 88.12 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 106.623 -1.621 . . . . 10.0 106.623 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -57.39 -36.8 71.74 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.557 0.743 . . . . 10.0 111.324 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -75.28 103.52 5.47 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.235 0.614 . . . . 10.0 111.391 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -46.12 -43.1 14.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.211 1.004 . . . . 10.0 111.843 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -56.3 17.58 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.212 0.46 . . . . 10.0 109.806 174.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -55.17 -42.73 73.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 -173.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -56.84 -60.79 3.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 174.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -55.8 -46.82 77.95 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.705 0.684 . . . . 10.0 111.664 -177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -54.64 -57.0 13.16 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 126.277 1.831 . . . . 10.0 109.278 178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.2 tp -51.73 -55.46 19.53 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.855 0.862 . . . . 10.0 111.487 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.07 -44.73 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 123.764 0.826 . . . . 10.0 110.319 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.66 -47.77 73.14 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.523 0.329 . . . . 10.0 110.507 174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.647 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 4.5 t80 -56.24 -56.83 16.15 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.497 172.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.1 mt -52.98 -39.1 62.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.91 0.777 . . . . 10.0 110.659 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -51.93 -49.02 63.93 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.596 0.758 . . . . 10.0 109.253 176.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -61.73 -63.82 1.14 Allowed 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.65 172.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.647 ' HB2' ' CE1' ' A' ' 97' ' ' TYR . . . -49.93 -46.98 52.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.254 1.422 . . . . 10.0 112.738 -167.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.1 p -72.46 -16.58 61.81 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 118.931 -0.557 . . . . 10.0 112.113 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -96.48 -38.75 9.88 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.262 1.425 . . . . 10.0 110.863 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 C--O 1.263 1.792 0 C-N-CA 129.556 3.142 . . . . 10.0 110.094 -175.666 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 0.664 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_