data_2lh8_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 2lh8 _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 ' 35' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.96 -43.27 1.47 Allowed Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.769 1.176 . . . . 0.0 111.253 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.19 67.11 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -138.66 153.29 48.57 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.797 0.839 . . . . 0.0 109.752 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.5 ttt -145.16 129.5 17.77 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 126.903 2.081 . . . . 0.0 109.449 -167.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' H ' ' CD2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -75.16 118.86 18.55 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.452 0.701 . . . . 0.0 111.518 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.2 -37.98 94.66 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 122.97 0.319 . . . . 0.0 113.859 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.6 m 132.27 -176.72 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 131.382 3.873 . . . . 0.0 110.749 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.45 144.88 54.52 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.046 -1.034 . . . . 0.0 112.323 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.01 129.32 41.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.023 1.329 . . . . 0.0 112.744 167.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -75.52 63.05 1.46 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.764 1.226 . . . . 0.0 113.387 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 36.85 70.94 1.02 Allowed Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 127.581 2.352 . . . . 0.0 114.258 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -42.11 -40.05 6.21 Favored 'Trans proline' 0 C--N 1.349 0.573 1 C-N-CA 127.149 5.233 . . . . 0.0 120.089 -168.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.9 ttt 50.55 30.73 4.98 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -164.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.0 mmt -83.31 -162.4 0.61 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.411 1.484 . . . . 0.0 111.708 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.411 ' HB3' ' S1 ' ' A' ' 1' ' ' VIB . 52.1 p-80 -155.67 167.96 28.72 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 119.963 -1.71 . . . . 0.0 112.311 -169.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -119.2 -38.64 3.01 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.546 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.15 7.37 59.6 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.784 -0.572 . . . . 0.0 112.663 -166.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -133.99 103.72 5.94 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.937 2.095 . . . . 0.0 107.029 -176.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.02 -30.02 70.67 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.255 1.022 . . . . 0.0 113.11 -168.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -61.9 -29.74 70.41 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.354 -1.466 . . . . 0.0 113.349 170.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -87.04 -32.57 19.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.553 1.141 . . . . 0.0 112.621 176.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -54.94 21.97 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.958 0.903 . . . . 0.0 110.898 165.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -63.13 -48.72 77.31 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.027 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -25.56 68.42 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.81 -59.06 5.4 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.481 0.582 . . . . 0.0 112.09 165.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -63.15 -20.02 65.0 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -98.48 -18.22 18.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.419 1.487 . . . . 0.0 113.859 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -130.6 -0.77 4.37 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.1 -20.82 7.18 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 175.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.76 -26.49 64.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.985 1.314 . . . . 0.0 112.603 175.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -99.97 -36.08 9.5 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.991 2.516 . . . . 0.0 111.565 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.04 147.77 98.67 Favored Pre-proline 0 CA--C 1.553 1.08 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -168.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.71 97.17 0.7 Allowed 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 124.183 3.256 . . . . 0.0 113.59 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.58 17.27 7.68 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 -171.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -145.37 158.11 43.9 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 119.721 -1.862 . . . . 0.0 110.039 -171.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.7 137.62 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.25 0.477 . . . . 0.0 111.346 -164.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -111.55 130.46 55.73 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.919 1.287 . . . . 0.0 108.673 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -133.68 154.75 50.7 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.735 1.214 . . . . 0.0 111.792 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -68.98 149.02 97.95 Favored Pre-proline 0 N--CA 1.474 0.744 0 CA-C-O 116.468 -1.73 . . . . 0.0 108.059 159.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -57.56 149.66 65.59 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 CA-C-N 122.414 1.898 . . . . 0.0 112.033 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.91 -11.4 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.036 1.334 . . . . 0.0 114.083 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -55.16 -34.16 63.58 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.954 2.502 . . . . 0.0 114.763 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -86.71 4.13 41.95 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.744 0.817 . . . . 0.0 112.691 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -131.6 171.32 13.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 123.089 1.423 . . . . 0.0 112.829 -163.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -152.66 1.12 0.3 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.672 1.589 . . . . 0.0 112.461 -171.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -156.67 136.88 12.83 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.729 1.212 . . . . 0.0 110.597 -168.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -73.39 -54.26 8.76 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -56.67 -41.27 77.0 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 120.887 1.676 . . . . 0.0 114.524 -161.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -70.74 -47.93 57.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.962 0.905 . . . . 0.0 112.821 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -56.81 -44.4 81.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.055 1.342 . . . . 0.0 111.963 171.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.8 t -67.68 -34.55 68.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 125.625 1.57 . . . . 0.0 111.331 -177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -59.64 -45.34 92.3 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.326 0.651 . . . . 0.0 112.729 169.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -65.83 -37.42 86.17 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.513 -0.742 . . . . 0.0 112.374 173.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 124' ' ' CYS . 47.0 t -65.08 -47.58 76.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.512 1.125 . . . . 0.0 113.621 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.45 -40.2 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 118.833 -0.603 . . . . 0.0 111.177 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -58.56 -52.44 65.63 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.5 tp -68.31 -37.17 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.966 1.257 . . . . 0.0 112.493 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -43.04 67.09 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.439 1.018 . . . . 0.0 112.019 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.08 -46.18 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.473 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -56.85 -51.59 68.43 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.045 -1.035 . . . . 0.0 113.442 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -72.11 -47.78 48.73 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.152 0.433 . . . . 0.0 111.221 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -77.01 -29.23 55.28 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.993 -1.003 . . . . 0.0 113.17 -170.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 p -61.98 -46.53 88.83 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.051 1.296 . . . . 0.0 111.212 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.4 t -58.76 -45.79 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.027 -1.046 . . . . 0.0 112.085 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.2 m -59.19 -38.25 79.38 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 t -91.66 -34.42 14.69 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.561 -0.712 . . . . 0.0 111.855 -172.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.8 m -57.92 -43.74 86.44 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.754 -1.216 . . . . 0.0 111.879 171.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.5 p -76.27 -7.32 54.65 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.331 -1.481 . . . . 0.0 114.926 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -85.29 -19.25 31.83 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.717 1.207 . . . . 0.0 112.784 164.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.08 5.41 3.06 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.548 -1.14 . . . . 0.0 115.367 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -81.58 166.4 20.26 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.737 1.268 . . . . 0.0 114.091 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -152.18 91.64 1.63 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.919 1.288 . . . . 0.0 108.521 164.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -55.52 152.72 8.58 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.537 0.684 . . . . 0.0 111.816 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.8 p -122.87 175.28 6.64 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.516 1.526 . . . . 0.0 109.864 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -55.52 -30.01 59.91 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.096 -1.002 . . . . 0.0 112.864 168.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.2 m -65.56 -50.96 63.22 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.356 -0.84 . . . . 0.0 111.17 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -62.55 -42.47 99.56 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.974 0.909 . . . . 0.0 111.932 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.7 -44.52 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 124.437 1.095 . . . . 0.0 110.677 172.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -66.47 -36.38 82.62 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 117.638 -1.172 . . . . 0.0 113.396 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -46.4 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.775 1.171 . . . . 0.0 110.59 169.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 14.3 mtp -61.77 -58.3 8.55 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.653 1.181 . . . . 0.0 110.312 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -52.53 -44.11 65.57 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 127.044 2.137 . . . . 0.0 111.844 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -60.41 -54.42 45.86 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.096 -1.002 . . . . 0.0 113.418 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.4 t -80.44 -35.92 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.578 -168.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.25 -52.13 65.04 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 115.942 -1.98 . . . . 0.0 109.77 168.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.32 -43.72 79.27 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 121.791 2.087 . . . . 0.0 113.702 176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -58.41 -48.26 81.23 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.418 0.687 . . . . 0.0 111.654 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.0 mmt -65.44 -40.89 93.81 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 124.084 0.954 . . . . 0.0 112.693 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 89' ' ' CYS . 79.4 m -59.23 -47.85 83.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.386 1.474 . . . . 0.0 111.167 175.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 85.7 m -66.34 -36.95 84.22 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.39 1.076 . . . . 0.0 112.278 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 82.5 m -71.89 -37.55 70.13 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.015 -1.053 . . . . 0.0 112.476 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -66.46 -40.26 89.29 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 117.097 -1.43 . . . . 0.0 110.511 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -54.87 -45.09 74.57 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 118.509 -0.757 . . . . 0.0 112.183 169.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -57.94 -48.86 78.7 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.57 1.077 . . . . 0.0 112.929 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -69.22 -47.52 64.55 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.306 0.642 . . . . 0.0 112.495 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.49 -36.32 82.44 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.008 0.923 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.4 t -70.86 -35.19 72.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.262 1.425 . . . . 0.0 112.287 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -63.99 -46.02 86.4 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.695 -0.669 . . . . 0.0 110.952 168.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.69 91.91 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.84 -27.02 68.88 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -80.15 -32.98 38.84 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.733 0.813 . . . . 0.0 112.914 169.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.78 -41.64 43.88 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.162 1.785 . . . . 0.0 113.186 -175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 CA-C-O 115.568 -2.796 . . . . 0.0 115.766 172.629 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VIB . . . . . 0.411 ' S1 ' ' HB3' ' A' ' 50' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.96 -43.27 1.47 Allowed Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.769 1.176 . . . . 0.0 111.253 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.19 67.11 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -138.66 153.29 48.57 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.797 0.839 . . . . 0.0 109.752 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.5 ttt -145.16 129.5 17.77 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 126.903 2.081 . . . . 0.0 109.449 -167.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' CD2' ' H ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -75.16 118.86 18.55 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.452 0.701 . . . . 0.0 111.518 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.2 -37.98 94.66 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 122.97 0.319 . . . . 0.0 113.859 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.6 m 132.27 -176.72 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 131.382 3.873 . . . . 0.0 110.749 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.45 144.88 54.52 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.046 -1.034 . . . . 0.0 112.323 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.01 129.32 41.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.023 1.329 . . . . 0.0 112.744 167.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -75.52 63.05 1.46 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.764 1.226 . . . . 0.0 113.387 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 36.85 70.94 1.02 Allowed Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 127.581 2.352 . . . . 0.0 114.258 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -42.11 -40.05 6.21 Favored 'Trans proline' 0 C--N 1.349 0.573 1 C-N-CA 127.149 5.233 . . . . 0.0 120.089 -168.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.584 ' H ' HM23 ' A' ' 1' ' ' VIB . 12.9 ttt 50.55 30.73 4.98 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -164.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.0 mmt -83.31 -162.4 0.61 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.411 1.484 . . . . 0.0 111.708 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.457 ' HB3' ' S1 ' ' A' ' 1' ' ' VIB . 52.1 p-80 -155.67 167.96 28.72 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 119.963 -1.71 . . . . 0.0 112.311 -169.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -119.2 -38.64 3.01 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.546 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.15 7.37 59.6 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.784 -0.572 . . . . 0.0 112.663 -166.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -133.99 103.72 5.94 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.937 2.095 . . . . 0.0 107.029 -176.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.02 -30.02 70.67 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.255 1.022 . . . . 0.0 113.11 -168.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -61.9 -29.74 70.41 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.354 -1.466 . . . . 0.0 113.349 170.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -87.04 -32.57 19.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.553 1.141 . . . . 0.0 112.621 176.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' CG ' HM41 ' A' ' 1' ' ' VIB . 0.0 OUTLIER -51.48 -54.94 21.97 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.958 0.903 . . . . 0.0 110.898 165.23 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -63.13 -48.72 77.31 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.027 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -25.56 68.42 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' HM21 ' A' ' 1' ' ' VIB . 0.9 OUTLIER -62.81 -59.06 5.4 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.481 0.582 . . . . 0.0 112.09 165.347 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -63.15 -20.02 65.0 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -98.48 -18.22 18.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.419 1.487 . . . . 0.0 113.859 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -130.6 -0.77 4.37 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.1 -20.82 7.18 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 175.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.76 -26.49 64.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.985 1.314 . . . . 0.0 112.603 175.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -99.97 -36.08 9.5 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.991 2.516 . . . . 0.0 111.565 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.04 147.77 98.67 Favored Pre-proline 0 CA--C 1.553 1.08 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -168.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.71 97.17 0.7 Allowed 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 124.183 3.256 . . . . 0.0 113.59 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.58 17.27 7.68 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 -171.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -145.37 158.11 43.9 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 119.721 -1.862 . . . . 0.0 110.039 -171.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.491 HG12 HG13 ' A' ' 120' ' ' VAL . 4.8 m -130.7 137.62 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.25 0.477 . . . . 0.0 111.346 -164.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -111.55 130.46 55.73 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.919 1.287 . . . . 0.0 108.673 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -133.68 154.75 50.7 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.735 1.214 . . . . 0.0 111.792 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -68.98 149.02 97.95 Favored Pre-proline 0 N--CA 1.474 0.744 0 CA-C-O 116.468 -1.73 . . . . 0.0 108.059 159.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -57.56 149.66 65.59 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 CA-C-N 122.414 1.898 . . . . 0.0 112.033 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.91 -11.4 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.036 1.334 . . . . 0.0 114.083 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -55.16 -34.16 63.58 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.954 2.502 . . . . 0.0 114.763 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -86.71 4.13 41.95 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.744 0.817 . . . . 0.0 112.691 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -131.6 171.32 13.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 123.089 1.423 . . . . 0.0 112.829 -163.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -152.66 1.12 0.3 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.672 1.589 . . . . 0.0 112.461 -171.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -156.67 136.88 12.83 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.729 1.212 . . . . 0.0 110.597 -168.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -73.39 -54.26 8.76 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -56.67 -41.27 77.0 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 120.887 1.676 . . . . 0.0 114.524 -161.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -70.74 -47.93 57.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.962 0.905 . . . . 0.0 112.821 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -56.81 -44.4 81.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.055 1.342 . . . . 0.0 111.963 171.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 124' ' ' CYS . 39.8 t -67.68 -34.55 68.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 125.625 1.57 . . . . 0.0 111.331 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -59.64 -45.34 92.3 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.326 0.651 . . . . 0.0 112.729 169.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -65.83 -37.42 86.17 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.513 -0.742 . . . . 0.0 112.374 173.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 47.0 t -65.08 -47.58 76.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.512 1.125 . . . . 0.0 113.621 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.45 -40.2 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 118.833 -0.603 . . . . 0.0 111.177 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -58.56 -52.44 65.63 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.5 tp -68.31 -37.17 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.966 1.257 . . . . 0.0 112.493 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -43.04 67.09 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.439 1.018 . . . . 0.0 112.019 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.08 -46.18 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.473 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -56.85 -51.59 68.43 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.045 -1.035 . . . . 0.0 113.442 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -72.11 -47.78 48.73 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.152 0.433 . . . . 0.0 111.221 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -77.01 -29.23 55.28 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.993 -1.003 . . . . 0.0 113.17 -170.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 p -61.98 -46.53 88.83 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.051 1.296 . . . . 0.0 111.212 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.4 t -58.76 -45.79 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.027 -1.046 . . . . 0.0 112.085 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.2 m -59.19 -38.25 79.38 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 t -91.66 -34.42 14.69 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.561 -0.712 . . . . 0.0 111.855 -172.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.8 m -57.92 -43.74 86.44 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.754 -1.216 . . . . 0.0 111.879 171.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.5 p -76.27 -7.32 54.65 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.331 -1.481 . . . . 0.0 114.926 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -85.29 -19.25 31.83 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.717 1.207 . . . . 0.0 112.784 164.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.08 5.41 3.06 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.548 -1.14 . . . . 0.0 115.367 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -81.58 166.4 20.26 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.737 1.268 . . . . 0.0 114.091 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -152.18 91.64 1.63 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.919 1.288 . . . . 0.0 108.521 164.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -55.52 152.72 8.58 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.537 0.684 . . . . 0.0 111.816 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.8 p -122.87 175.28 6.64 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.516 1.526 . . . . 0.0 109.864 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -55.52 -30.01 59.91 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.096 -1.002 . . . . 0.0 112.864 168.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.2 m -65.56 -50.96 63.22 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.356 -0.84 . . . . 0.0 111.17 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -62.55 -42.47 99.56 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.974 0.909 . . . . 0.0 111.932 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.7 -44.52 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 124.437 1.095 . . . . 0.0 110.677 172.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -66.47 -36.38 82.62 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 117.638 -1.172 . . . . 0.0 113.396 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -64.55 -46.4 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.775 1.171 . . . . 0.0 110.59 169.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 14.3 mtp -61.77 -58.3 8.55 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.653 1.181 . . . . 0.0 110.312 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -52.53 -44.11 65.57 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 127.044 2.137 . . . . 0.0 111.844 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -60.41 -54.42 45.86 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.096 -1.002 . . . . 0.0 113.418 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.519 HG21 ' CE2' ' A' ' 60' ' ' TYR . 25.4 t -80.44 -35.92 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.578 -168.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.491 HG13 HG12 ' A' ' 71' ' ' VAL . 70.7 t -61.25 -52.13 65.04 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 115.942 -1.98 . . . . 0.0 109.77 168.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.32 -43.72 79.27 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 121.791 2.087 . . . . 0.0 113.702 176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -58.41 -48.26 81.23 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.418 0.687 . . . . 0.0 111.654 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.0 mmt -65.44 -40.89 93.81 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 124.084 0.954 . . . . 0.0 112.693 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.484 ' HB2' HG13 ' A' ' 86' ' ' VAL . 79.4 m -59.23 -47.85 83.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.386 1.474 . . . . 0.0 111.167 175.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 85.7 m -66.34 -36.95 84.22 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.39 1.076 . . . . 0.0 112.278 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 82.5 m -71.89 -37.55 70.13 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.015 -1.053 . . . . 0.0 112.476 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -66.46 -40.26 89.29 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 117.097 -1.43 . . . . 0.0 110.511 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -54.87 -45.09 74.57 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 118.509 -0.757 . . . . 0.0 112.183 169.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -57.94 -48.86 78.7 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.57 1.077 . . . . 0.0 112.929 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -69.22 -47.52 64.55 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.306 0.642 . . . . 0.0 112.495 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.49 -36.32 82.44 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.008 0.923 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.4 t -70.86 -35.19 72.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.262 1.425 . . . . 0.0 112.287 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -63.99 -46.02 86.4 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.695 -0.669 . . . . 0.0 110.952 168.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.69 91.91 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.84 -27.02 68.88 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -80.15 -32.98 38.84 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.733 0.813 . . . . 0.0 112.914 169.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.78 -41.64 43.88 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.162 1.785 . . . . 0.0 113.186 -175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 CA-C-O 115.568 -2.796 . . . . 0.0 115.766 172.629 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VIB . . . . . 0.584 HM23 ' H ' ' A' ' 48' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.96 -43.27 1.47 Allowed Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.769 1.176 . . . . 0.0 111.253 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.19 67.11 0.02 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -138.66 153.29 48.57 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.797 0.839 . . . . 0.0 109.752 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.5 ttt -145.16 129.5 17.77 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 126.903 2.081 . . . . 0.0 109.449 -167.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' CD2' ' H ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -75.16 118.86 18.55 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.452 0.701 . . . . 0.0 111.518 177.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.2 -37.98 94.66 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 122.97 0.319 . . . . 0.0 113.859 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.6 m 132.27 -176.72 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 131.382 3.873 . . . . 0.0 110.749 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.45 144.88 54.52 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.046 -1.034 . . . . 0.0 112.323 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.01 129.32 41.22 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.023 1.329 . . . . 0.0 112.744 167.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.2 t -75.52 63.05 1.46 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.764 1.226 . . . . 0.0 113.387 175.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 36.85 70.94 1.02 Allowed Pre-proline 0 N--CA 1.486 1.332 0 C-N-CA 127.581 2.352 . . . . 0.0 114.258 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -42.11 -40.05 6.21 Favored 'Trans proline' 0 C--N 1.349 0.573 1 C-N-CA 127.149 5.233 . . . . 0.0 120.089 -168.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.584 ' H ' HM23 ' A' ' 1' ' ' VIB . 12.9 ttt 50.55 30.73 4.98 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -164.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 14.0 mmt -83.31 -162.4 0.61 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.411 1.484 . . . . 0.0 111.708 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.457 ' HB3' ' S1 ' ' A' ' 1' ' ' VIB . 52.1 p-80 -155.67 167.96 28.72 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 119.963 -1.71 . . . . 0.0 112.311 -169.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -119.2 -38.64 3.01 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.546 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.15 7.37 59.6 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.784 -0.572 . . . . 0.0 112.663 -166.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -133.99 103.72 5.94 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.937 2.095 . . . . 0.0 107.029 -176.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.02 -30.02 70.67 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.255 1.022 . . . . 0.0 113.11 -168.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 -61.9 -29.74 70.41 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.354 -1.466 . . . . 0.0 113.349 170.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -87.04 -32.57 19.93 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.553 1.141 . . . . 0.0 112.621 176.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' CG ' HM41 ' A' ' 1' ' ' VIB . 0.0 OUTLIER -51.48 -54.94 21.97 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.958 0.903 . . . . 0.0 110.898 165.23 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.1 ttt85 -63.13 -48.72 77.31 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.417 -1.265 . . . . 0.0 110.027 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -25.56 68.42 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' HM21 ' A' ' 1' ' ' VIB . 0.9 OUTLIER -62.81 -59.06 5.4 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.481 0.582 . . . . 0.0 112.09 165.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -63.15 -20.02 65.0 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -98.48 -18.22 18.33 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.419 1.487 . . . . 0.0 113.859 -175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -130.6 -0.77 4.37 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.1 -20.82 7.18 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 175.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.76 -26.49 64.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.985 1.314 . . . . 0.0 112.603 175.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -99.97 -36.08 9.5 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 127.991 2.516 . . . . 0.0 111.565 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.04 147.77 98.67 Favored Pre-proline 0 CA--C 1.553 1.08 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -168.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.71 97.17 0.7 Allowed 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 124.183 3.256 . . . . 0.0 113.59 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.58 17.27 7.68 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 116.944 2.201 . . . . 0.0 116.944 -171.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -145.37 158.11 43.9 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 119.721 -1.862 . . . . 0.0 110.039 -171.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.491 HG12 HG13 ' A' ' 120' ' ' VAL . 4.8 m -130.7 137.62 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.25 0.477 . . . . 0.0 111.346 -164.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -111.55 130.46 55.73 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.919 1.287 . . . . 0.0 108.673 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -133.68 154.75 50.7 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.735 1.214 . . . . 0.0 111.792 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -68.98 149.02 97.95 Favored Pre-proline 0 N--CA 1.474 0.744 0 CA-C-O 116.468 -1.73 . . . . 0.0 108.059 159.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -57.56 149.66 65.59 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 CA-C-N 122.414 1.898 . . . . 0.0 112.033 172.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.91 -11.4 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 C-N-CA 125.036 1.334 . . . . 0.0 114.083 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -55.16 -34.16 63.58 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.954 2.502 . . . . 0.0 114.763 -174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -86.71 4.13 41.95 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.744 0.817 . . . . 0.0 112.691 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -131.6 171.32 13.58 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 123.089 1.423 . . . . 0.0 112.829 -163.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -152.66 1.12 0.3 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.672 1.589 . . . . 0.0 112.461 -171.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -156.67 136.88 12.83 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.729 1.212 . . . . 0.0 110.597 -168.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -73.39 -54.26 8.76 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -56.67 -41.27 77.0 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 120.887 1.676 . . . . 0.0 114.524 -161.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -70.74 -47.93 57.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.962 0.905 . . . . 0.0 112.821 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -56.81 -44.4 81.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.055 1.342 . . . . 0.0 111.963 171.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.484 HG13 ' HB2' ' A' ' 124' ' ' CYS . 39.8 t -67.68 -34.55 68.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 125.625 1.57 . . . . 0.0 111.331 -177.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -59.64 -45.34 92.3 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.326 0.651 . . . . 0.0 112.729 169.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -65.83 -37.42 86.17 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.513 -0.742 . . . . 0.0 112.374 173.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 47.0 t -65.08 -47.58 76.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.512 1.125 . . . . 0.0 113.621 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.45 -40.2 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-O 118.833 -0.603 . . . . 0.0 111.177 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -58.56 -52.44 65.63 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.5 tp -68.31 -37.17 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 119.966 1.257 . . . . 0.0 112.493 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.55 -43.04 67.09 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.439 1.018 . . . . 0.0 112.019 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.08 -46.18 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.473 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -56.85 -51.59 68.43 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.045 -1.035 . . . . 0.0 113.442 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -72.11 -47.78 48.73 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.152 0.433 . . . . 0.0 111.221 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -77.01 -29.23 55.28 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 117.993 -1.003 . . . . 0.0 113.17 -170.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 p -61.98 -46.53 88.83 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 120.051 1.296 . . . . 0.0 111.212 168.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.4 t -58.76 -45.79 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.027 -1.046 . . . . 0.0 112.085 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 33.2 m -59.19 -38.25 79.38 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.4 t -91.66 -34.42 14.69 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.561 -0.712 . . . . 0.0 111.855 -172.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.8 m -57.92 -43.74 86.44 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.754 -1.216 . . . . 0.0 111.879 171.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.5 p -76.27 -7.32 54.65 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.331 -1.481 . . . . 0.0 114.926 175.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -85.29 -19.25 31.83 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.717 1.207 . . . . 0.0 112.784 164.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 133.08 5.41 3.06 Favored Glycine 0 CA--C 1.533 1.164 0 CA-C-O 118.548 -1.14 . . . . 0.0 115.367 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -81.58 166.4 20.26 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.737 1.268 . . . . 0.0 114.091 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -152.18 91.64 1.63 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.919 1.288 . . . . 0.0 108.521 164.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -55.52 152.72 8.58 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.537 0.684 . . . . 0.0 111.816 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.8 p -122.87 175.28 6.64 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.516 1.526 . . . . 0.0 109.864 172.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -55.52 -30.01 59.91 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.096 -1.002 . . . . 0.0 112.864 168.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.2 m -65.56 -50.96 63.22 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.356 -0.84 . . . . 0.0 111.17 172.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -62.55 -42.47 99.56 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.974 0.909 . . . . 0.0 111.932 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 58.0 mt -56.7 -44.52 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 124.437 1.095 . . . . 0.0 110.677 172.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -66.47 -36.38 82.62 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 117.638 -1.172 . . . . 0.0 113.396 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -64.55 -46.4 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 CA-C-N 119.775 1.171 . . . . 0.0 110.59 169.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 14.3 mtp -61.77 -58.3 8.55 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 124.653 1.181 . . . . 0.0 110.312 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -52.53 -44.11 65.57 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 127.044 2.137 . . . . 0.0 111.844 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -60.41 -54.42 45.86 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.096 -1.002 . . . . 0.0 113.418 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.519 HG21 ' CE2' ' A' ' 60' ' ' TYR . 25.4 t -80.44 -35.92 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.578 -168.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.491 HG13 HG12 ' A' ' 71' ' ' VAL . 70.7 t -61.25 -52.13 65.04 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 115.942 -1.98 . . . . 0.0 109.77 168.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.32 -43.72 79.27 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 121.791 2.087 . . . . 0.0 113.702 176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -58.41 -48.26 81.23 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.418 0.687 . . . . 0.0 111.654 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.0 mmt -65.44 -40.89 93.81 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 124.084 0.954 . . . . 0.0 112.693 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.484 ' HB2' HG13 ' A' ' 86' ' ' VAL . 79.4 m -59.23 -47.85 83.82 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.386 1.474 . . . . 0.0 111.167 175.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 85.7 m -66.34 -36.95 84.22 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.39 1.076 . . . . 0.0 112.278 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 82.5 m -71.89 -37.55 70.13 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.015 -1.053 . . . . 0.0 112.476 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -66.46 -40.26 89.29 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-O 117.097 -1.43 . . . . 0.0 110.511 171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -54.87 -45.09 74.57 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 118.509 -0.757 . . . . 0.0 112.183 169.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -57.94 -48.86 78.7 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.57 1.077 . . . . 0.0 112.929 177.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -69.22 -47.52 64.55 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.306 0.642 . . . . 0.0 112.495 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.49 -36.32 82.44 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.008 0.923 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.4 t -70.86 -35.19 72.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.262 1.425 . . . . 0.0 112.287 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -63.99 -46.02 86.4 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.695 -0.669 . . . . 0.0 110.952 168.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.69 91.91 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.84 -27.02 68.88 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -80.15 -32.98 38.84 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.733 0.813 . . . . 0.0 112.914 169.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -76.78 -41.64 43.88 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.162 1.785 . . . . 0.0 113.186 -175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.513 0 CA-C-O 115.568 -2.796 . . . . 0.0 115.766 172.629 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VIB . . . . . 0.584 HM23 ' H ' ' A' ' 48' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_