data_1jic_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 1jic _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.072 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.8 p -98.67 146.87 25.42 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 119.058 0.844 . . . . 0.0 112.548 -168.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -107.17 118.01 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -92.64 104.43 16.72 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.352 0.661 . . . . 0.0 109.365 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -113.1 130.88 56.03 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 123.598 0.759 . . . . 0.0 111.005 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 140.34 44.88 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -114.03 -81.22 0.6 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.072 0.949 . . . . 0.0 108.593 -172.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -113.05 -100.38 0.42 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 161.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.75 54.14 0.73 Allowed Glycine 0 CA--C 1.548 2.102 0 CA-C-N 119.688 1.131 . . . . 0.0 113.371 162.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -154.39 114.53 3.87 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -98.17 113.73 25.73 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.406 0.622 . . . . 0.0 109.625 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -98.0 127.39 43.91 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.104 0.962 . . . . 0.0 111.064 -166.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.26 115.78 28.08 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.599 0.759 . . . . 0.0 110.134 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -126.93 135.43 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 C-N-CA 123.958 0.903 . . . . 0.0 109.906 -174.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.63 146.48 36.12 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.9 tt -62.63 -41.18 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 174.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.2 p -58.49 -34.89 71.41 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 117.108 2.262 . . . . 0.0 117.108 170.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -76.05 -4.86 43.66 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.5 mt -81.59 107.86 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-N 120.896 1.68 . . . . 0.0 107.19 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -78.58 -48.66 14.72 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -136.27 128.32 29.62 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 119.443 1.019 . . . . 0.0 109.092 169.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.4 p -120.05 136.33 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 124.398 1.079 . . . . 0.0 108.867 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -144.52 131.86 20.79 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.246 0.619 . . . . 0.0 110.357 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.35 102.01 14.1 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.514 0.725 . . . . 0.0 110.297 174.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.293 11.3 p -76.49 -44.94 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.56 -92.13 0.09 OUTLIER Glycine 0 N--CA 1.48 1.571 0 CA-C-N 119.874 1.216 . . . . 0.0 110.499 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -72.33 -25.63 61.63 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 167.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.4 mtt -118.94 168.79 10.45 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.524 1.154 . . . . 0.0 111.228 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.2 mt -126.65 102.67 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 104.141 -2.54 . . . . 0.0 104.141 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.9 t -90.06 144.54 25.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.251 0.62 . . . . 0.0 111.443 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -147.73 139.55 24.03 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.124 0.57 . . . . 0.0 112.259 -173.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.8 p -104.21 108.53 19.95 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.907 0.883 . . . . 0.0 108.739 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -98.44 139.81 33.63 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.076 0.95 . . . . 0.0 111.191 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.55 151.25 22.05 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.508 0.67 . . . . 0.0 111.256 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -140.21 -12.0 1.08 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -169.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.71 -120.28 0.52 Allowed Glycine 0 N--CA 1.482 1.704 0 CA-C-N 121.705 2.048 . . . . 0.0 112.664 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.1 70.3 2.03 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 114.353 0.501 . . . . 0.0 114.353 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.88 51.07 58.33 Favored Glycine 0 CA--C 1.548 2.095 0 N-CA-C 117.001 1.56 . . . . 0.0 117.001 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -141.66 99.23 3.5 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 105.936 -1.875 . . . . 0.0 105.936 -173.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -93.78 121.33 35.11 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 122.837 0.455 . . . . 0.0 111.532 -171.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.2 144.3 19.96 Favored Glycine 0 CA--C 1.547 2.073 0 C-N-CA 123.325 0.488 . . . . 0.0 113.235 170.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -111.71 111.19 22.0 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.172 0.589 . . . . 0.0 109.886 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.12 176.48 22.7 Favored Glycine 0 CA--C 1.549 2.177 0 CA-C-O 122.019 0.789 . . . . 0.0 114.418 174.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.11 145.61 25.59 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.545 0.688 . . . . 0.0 111.422 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 p -144.58 128.84 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 m -70.94 171.44 10.76 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -66.76 -53.65 30.9 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -62.48 -35.73 80.25 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 165.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.92 -40.08 91.81 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.51 119.31 74.33 Favored Pre-proline 0 CA--C 1.566 1.594 0 CA-C-O 117.478 -1.249 . . . . 0.0 111.432 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -75.74 -68.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.559 1.754 0 C-N-CA 122.479 2.119 . . . . 0.0 115.728 -166.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -152.28 -49.91 0.11 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 120.01 1.277 . . . . 0.0 114.015 -169.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.14 -52.62 64.78 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -172.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.25 -33.89 77.06 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.01 -39.04 92.84 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -64.82 -38.72 91.93 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.1 mtt -64.77 -53.12 52.06 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.7 mt -72.37 -21.21 61.33 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 -177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -121.75 45.27 2.36 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 120.872 1.669 . . . . 0.0 112.877 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -163.6 -58.33 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.117 -0.989 . . . . 0.0 110.63 170.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -73.78 -84.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 118.103 -0.951 . . . . 0.0 112.116 -164.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-N 119.887 1.221 . . . . 0.0 109.606 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.072 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.8 p -98.67 146.87 25.42 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 119.058 0.844 . . . . 0.0 112.548 -168.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -107.17 118.01 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -92.64 104.43 16.72 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.352 0.661 . . . . 0.0 109.365 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -113.1 130.88 56.03 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 123.598 0.759 . . . . 0.0 111.005 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 140.34 44.88 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -114.03 -81.22 0.6 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.072 0.949 . . . . 0.0 108.593 -172.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -113.05 -100.38 0.42 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 161.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.75 54.14 0.73 Allowed Glycine 0 CA--C 1.548 2.102 0 CA-C-N 119.688 1.131 . . . . 0.0 113.371 162.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -154.39 114.53 3.87 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -98.17 113.73 25.73 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.406 0.622 . . . . 0.0 109.625 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -98.0 127.39 43.91 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.104 0.962 . . . . 0.0 111.064 -166.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.26 115.78 28.08 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.599 0.759 . . . . 0.0 110.134 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -126.93 135.43 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 C-N-CA 123.958 0.903 . . . . 0.0 109.906 -174.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.63 146.48 36.12 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.9 tt -62.63 -41.18 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 174.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.2 p -58.49 -34.89 71.41 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 117.108 2.262 . . . . 0.0 117.108 170.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -76.05 -4.86 43.66 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.5 mt -81.59 107.86 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-N 120.896 1.68 . . . . 0.0 107.19 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -78.58 -48.66 14.72 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -136.27 128.32 29.62 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 119.443 1.019 . . . . 0.0 109.092 169.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.4 p -120.05 136.33 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 124.398 1.079 . . . . 0.0 108.867 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -144.52 131.86 20.79 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.246 0.619 . . . . 0.0 110.357 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.35 102.01 14.1 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.514 0.725 . . . . 0.0 110.297 174.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.293 11.3 p -76.49 -44.94 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.56 -92.13 0.09 OUTLIER Glycine 0 N--CA 1.48 1.571 0 CA-C-N 119.874 1.216 . . . . 0.0 110.499 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -72.33 -25.63 61.63 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 167.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.4 mtt -118.94 168.79 10.45 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.524 1.154 . . . . 0.0 111.228 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.2 mt -126.65 102.67 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 104.141 -2.54 . . . . 0.0 104.141 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.9 t -90.06 144.54 25.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.251 0.62 . . . . 0.0 111.443 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -147.73 139.55 24.03 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.124 0.57 . . . . 0.0 112.259 -173.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.8 p -104.21 108.53 19.95 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.907 0.883 . . . . 0.0 108.739 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -98.44 139.81 33.63 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.076 0.95 . . . . 0.0 111.191 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.55 151.25 22.05 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.508 0.67 . . . . 0.0 111.256 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -140.21 -12.0 1.08 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -169.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.71 -120.28 0.52 Allowed Glycine 0 N--CA 1.482 1.704 0 CA-C-N 121.705 2.048 . . . . 0.0 112.664 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.1 70.3 2.03 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 114.353 0.501 . . . . 0.0 114.353 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.88 51.07 58.33 Favored Glycine 0 CA--C 1.548 2.095 0 N-CA-C 117.001 1.56 . . . . 0.0 117.001 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -141.66 99.23 3.5 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 105.936 -1.875 . . . . 0.0 105.936 -173.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -93.78 121.33 35.11 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 122.837 0.455 . . . . 0.0 111.532 -171.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.2 144.3 19.96 Favored Glycine 0 CA--C 1.547 2.073 0 C-N-CA 123.325 0.488 . . . . 0.0 113.235 170.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -111.71 111.19 22.0 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.172 0.589 . . . . 0.0 109.886 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.12 176.48 22.7 Favored Glycine 0 CA--C 1.549 2.177 0 CA-C-O 122.019 0.789 . . . . 0.0 114.418 174.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.11 145.61 25.59 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.545 0.688 . . . . 0.0 111.422 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 p -144.58 128.84 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 m -70.94 171.44 10.76 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -66.76 -53.65 30.9 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -62.48 -35.73 80.25 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 165.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.92 -40.08 91.81 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.51 119.31 74.33 Favored Pre-proline 0 CA--C 1.566 1.594 0 CA-C-O 117.478 -1.249 . . . . 0.0 111.432 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -75.74 -68.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.559 1.754 0 C-N-CA 122.479 2.119 . . . . 0.0 115.728 -166.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -152.28 -49.91 0.11 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 120.01 1.277 . . . . 0.0 114.015 -169.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.14 -52.62 64.78 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -172.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.25 -33.89 77.06 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.01 -39.04 92.84 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -64.82 -38.72 91.93 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.1 mtt -64.77 -53.12 52.06 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.7 mt -72.37 -21.21 61.33 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 -177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -121.75 45.27 2.36 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 120.872 1.669 . . . . 0.0 112.877 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -163.6 -58.33 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.117 -0.989 . . . . 0.0 110.63 170.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -73.78 -84.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 118.103 -0.951 . . . . 0.0 112.116 -164.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-N 119.887 1.221 . . . . 0.0 109.606 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.072 0 CA-C-O 118.837 -0.601 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.8 p -98.67 146.87 25.42 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 119.058 0.844 . . . . 0.0 112.548 -168.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -107.17 118.01 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -92.64 104.43 16.72 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.352 0.661 . . . . 0.0 109.365 175.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -113.1 130.88 56.03 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 123.598 0.759 . . . . 0.0 111.005 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 140.34 44.88 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -114.03 -81.22 0.6 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 124.072 0.949 . . . . 0.0 108.593 -172.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -113.05 -100.38 0.42 Allowed 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 161.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.75 54.14 0.73 Allowed Glycine 0 CA--C 1.548 2.102 0 CA-C-N 119.688 1.131 . . . . 0.0 113.371 162.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -154.39 114.53 3.87 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 -174.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -98.17 113.73 25.73 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.406 0.622 . . . . 0.0 109.625 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -98.0 127.39 43.91 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.104 0.962 . . . . 0.0 111.064 -166.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.26 115.78 28.08 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 123.599 0.759 . . . . 0.0 110.134 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -126.93 135.43 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 C-N-CA 123.958 0.903 . . . . 0.0 109.906 -174.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.63 146.48 36.12 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -173.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.9 tt -62.63 -41.18 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 174.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.2 p -58.49 -34.89 71.41 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 117.108 2.262 . . . . 0.0 117.108 170.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -76.05 -4.86 43.66 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.5 mt -81.59 107.86 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 CA-C-N 120.896 1.68 . . . . 0.0 107.19 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -78.58 -48.66 14.72 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -136.27 128.32 29.62 Favored 'General case' 0 N--CA 1.491 1.614 0 CA-C-N 119.443 1.019 . . . . 0.0 109.092 169.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.4 p -120.05 136.33 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 124.398 1.079 . . . . 0.0 108.867 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.6 p90 -144.52 131.86 20.79 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.246 0.619 . . . . 0.0 110.357 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.35 102.01 14.1 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.514 0.725 . . . . 0.0 110.297 174.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . 0.293 11.3 p -76.49 -44.94 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.56 -92.13 0.09 OUTLIER Glycine 0 N--CA 1.48 1.571 0 CA-C-N 119.874 1.216 . . . . 0.0 110.499 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -72.33 -25.63 61.63 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 167.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.4 mtt -118.94 168.79 10.45 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.524 1.154 . . . . 0.0 111.228 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.2 mt -126.65 102.67 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 104.141 -2.54 . . . . 0.0 104.141 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.9 t -90.06 144.54 25.8 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.251 0.62 . . . . 0.0 111.443 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -147.73 139.55 24.03 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.124 0.57 . . . . 0.0 112.259 -173.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.8 p -104.21 108.53 19.95 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.907 0.883 . . . . 0.0 108.739 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -98.44 139.81 33.63 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.076 0.95 . . . . 0.0 111.191 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.55 151.25 22.05 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.508 0.67 . . . . 0.0 111.256 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -140.21 -12.0 1.08 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -169.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.71 -120.28 0.52 Allowed Glycine 0 N--CA 1.482 1.704 0 CA-C-N 121.705 2.048 . . . . 0.0 112.664 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -91.1 70.3 2.03 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 114.353 0.501 . . . . 0.0 114.353 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.88 51.07 58.33 Favored Glycine 0 CA--C 1.548 2.095 0 N-CA-C 117.001 1.56 . . . . 0.0 117.001 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -141.66 99.23 3.5 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 105.936 -1.875 . . . . 0.0 105.936 -173.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -93.78 121.33 35.11 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 122.837 0.455 . . . . 0.0 111.532 -171.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.2 144.3 19.96 Favored Glycine 0 CA--C 1.547 2.073 0 C-N-CA 123.325 0.488 . . . . 0.0 113.235 170.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -111.71 111.19 22.0 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 123.172 0.589 . . . . 0.0 109.886 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -105.12 176.48 22.7 Favored Glycine 0 CA--C 1.549 2.177 0 CA-C-O 122.019 0.789 . . . . 0.0 114.418 174.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.11 145.61 25.59 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.545 0.688 . . . . 0.0 111.422 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 p -144.58 128.84 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 m -70.94 171.44 10.76 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -66.76 -53.65 30.9 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -62.48 -35.73 80.25 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 165.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -60.92 -40.08 91.81 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.51 119.31 74.33 Favored Pre-proline 0 CA--C 1.566 1.594 0 CA-C-O 117.478 -1.249 . . . . 0.0 111.432 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -75.74 -68.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.559 1.754 0 C-N-CA 122.479 2.119 . . . . 0.0 115.728 -166.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -152.28 -49.91 0.11 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 120.01 1.277 . . . . 0.0 114.015 -169.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -58.14 -52.62 64.78 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -172.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.25 -33.89 77.06 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 174.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.01 -39.04 92.84 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -64.82 -38.72 91.93 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.1 mtt -64.77 -53.12 52.06 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.7 mt -72.37 -21.21 61.33 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 117.052 2.241 . . . . 0.0 117.052 -177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -121.75 45.27 2.36 Favored 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 120.872 1.669 . . . . 0.0 112.877 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -163.6 -58.33 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.117 -0.989 . . . . 0.0 110.63 170.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -73.78 -84.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 118.103 -0.951 . . . . 0.0 112.116 -164.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.462 0 CA-C-N 119.887 1.221 . . . . 0.0 109.606 177.057 . . . . . . . . 1 1 . 1 stop_ save_