data_1dis_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 1dis _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' ' ' THR . . . . . . . . . . . . . 87.8 m . . . . . 0 CA--C 1.558 1.265 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.76 147.24 36.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 124.298 0.999 . . . . 0.0 112.285 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -94.43 121.64 36.18 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 161.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.3 tp -95.51 118.91 33.09 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 124.887 1.367 . . . . 0.0 109.477 169.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.451 ' HA ' HN42 ' A' ' 163' ' ' BDM 0.289 1.5 p90 -153.09 167.17 30.13 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.419 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.38 133.52 38.8 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 124.382 1.073 . . . . 0.0 109.438 164.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -124.05 159.6 29.55 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -78.05 174.65 10.89 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.319 0.648 . . . . 0.0 111.176 154.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.314 26.9 ptt180 -41.26 -46.18 3.11 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 119.343 3.09 . . . . 0.0 119.343 173.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -80.14 1.39 28.25 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 125.656 1.847 . . . . 0.0 113.66 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.63 23.35 62.56 Favored Glycine 0 C--N 1.36 1.867 0 CA-C-O 116.215 -2.436 . . . . 0.0 118.144 -168.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.39 137.35 37.25 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.09 1.945 . . . . 0.0 110.1 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.268 30.2 pt -118.57 -30.41 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 115.842 -2.028 . . . . 0.0 113.715 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.99 157.99 27.46 Favored Glycine 0 C--N 1.356 1.663 0 O-C-N 124.661 1.226 . . . . 0.0 113.414 -170.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -143.13 130.19 20.7 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 103.661 -2.718 . . . . 0.0 103.661 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . 0.263 64.3 m-20 50.88 32.55 7.44 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 167.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.29 10.15 73.89 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 121.961 3.544 . . . . 0.0 121.961 -164.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -131.56 175.53 9.08 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.69 138.4 97.37 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-O 115.551 -2.166 . . . . 0.0 113.813 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -69.29 -11.66 31.97 Favored 'Trans proline' 0 CA--C 1.578 2.694 0 N-CA-C 118.473 2.451 . . . . 0.0 118.473 173.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.5 p90 -137.31 168.57 19.36 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 127.758 2.423 . . . . 0.0 106.117 -171.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -124.36 114.01 18.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 162.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.5 tp -126.5 91.49 47.4 Favored Pre-proline 0 CA--C 1.557 1.24 0 CA-C-N 111.199 -2.728 . . . . 0.0 106.645 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -55.78 -37.84 95.15 Favored 'Trans proline' 0 C--N 1.364 1.389 0 N-CA-C 120.967 3.41 . . . . 0.0 120.967 171.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.93 -43.0 91.1 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.535 ' HA ' ' HH ' ' A' ' 155' ' ' TYR . 32.3 t70 -64.95 -35.73 82.11 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 172.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.32 -26.23 38.9 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 117.378 -1.296 . . . . 0.0 113.805 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -63.17 -38.87 92.88 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 159.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -73.09 -29.08 62.67 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 116.301 -1.809 . . . . 0.0 115.433 167.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.82 ' HD2' H152 ' A' ' 163' ' ' BDM . 38.8 t80 -59.07 -46.94 86.98 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 120.776 1.625 . . . . 0.0 114.959 164.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.771 ' HG3' HH22 ' A' ' 57' ' ' ARG . 48.7 ttt180 -44.52 -59.66 2.34 Favored 'General case' 0 CA--C 1.566 1.591 0 CA-C-O 117.142 -1.409 . . . . 0.0 114.629 167.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.91 -18.52 17.07 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -163.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -60.58 -25.0 65.89 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 116.158 1.911 . . . . 0.0 116.158 150.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.1 p -117.21 20.42 13.71 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 115.971 -1.966 . . . . 0.0 115.125 167.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.262 4.7 m -71.98 115.25 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.613 0 CA-C-N 124.721 3.418 . . . . 0.0 106.549 170.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.35 -9.96 61.21 Favored Glycine 0 N--CA 1.48 1.622 0 N-CA-C 121.41 3.324 . . . . 0.0 121.41 -177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -106.06 -179.86 4.06 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 120.136 1.968 . . . . 0.0 106.683 -168.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.65 110.05 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 102.104 -3.295 . . . . 0.0 102.104 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.5 ttt -97.51 125.02 41.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 126.563 2.415 . . . . 0.0 107.199 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.8 t -112.39 136.86 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 102.924 -2.991 . . . . 0.0 102.924 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.3 m -144.52 145.35 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 103.267 -2.864 . . . . 0.0 103.267 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.89 144.89 44.14 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.985 158.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -43.32 -41.0 3.83 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 177.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.3 ttm105 -65.99 -53.48 38.31 Favored 'General case' 0 CA--C 1.565 1.521 0 CA-C-O 117.315 -1.326 . . . . 0.0 113.698 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.1 m -53.81 -38.0 64.1 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-O 115.083 -2.389 . . . . 0.0 112.969 171.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.09 -50.0 74.97 Favored 'General case' 0 CA--C 1.569 1.677 0 CA-C-N 121.179 1.809 . . . . 0.0 115.76 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -60.21 -35.58 75.76 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.986 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.2 p -76.76 -1.79 29.84 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -73.65 124.59 90.45 Favored Pre-proline 0 CA--C 1.565 1.539 0 CA-C-O 115.921 -1.99 . . . . 0.0 110.436 168.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.66 ' CD ' BR11 ' A' ' 163' ' ' BDM . 53.4 Cg_exo -48.36 -48.97 15.43 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.743 2.962 . . . . 0.0 118.378 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -94.39 139.76 30.69 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 166.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -135.26 110.06 10.6 Favored Pre-proline 0 CA--C 1.565 1.533 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -174.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.12 153.5 88.1 Favored 'Cis proline' 0 C--N 1.375 1.922 0 CA-C-N 122.956 2.091 . . . . 0.0 111.274 -16.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.41 HD22 ' H ' ' A' ' 54' ' ' LEU 0.258 2.2 pt? -67.71 132.36 92.61 Favored Pre-proline 0 CA--C 1.59 2.491 0 CA-C-O 116.621 -1.657 . . . . 0.0 111.719 156.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.11 178.73 6.86 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 124.082 3.188 . . . . 0.0 115.18 -159.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . 0.257 34.5 mt-10 73.75 -0.71 3.28 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 163.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.771 HH22 ' HG3' ' A' ' 31' ' ' ARG . 15.4 ptp180 -130.4 168.7 16.54 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 101.844 -3.391 . . . . 0.0 101.844 -175.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.3 m -84.6 123.76 30.68 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 156.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -96.85 124.12 40.74 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 165.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.0 t -115.04 131.14 68.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 100.471 -3.9 . . . . 0.0 100.471 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.6 t -120.82 120.34 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 100.478 -3.897 . . . . 0.0 100.478 -172.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 mt -92.88 125.56 37.54 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.222 171.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 t -147.38 139.55 24.44 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.64 -5.21 58.71 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 121.501 1.955 . . . . 0.0 114.561 164.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -78.69 103.64 8.77 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -46.26 -40.19 11.15 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -86.49 -3.64 59.04 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.11 136.84 58.12 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 120.888 1.676 . . . . 0.0 112.3 -169.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -116.53 121.32 41.44 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 126.007 2.067 . . . . 0.0 106.487 -170.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.39 107.16 5.37 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 104.391 -2.448 . . . . 0.0 104.391 168.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -79.02 128.23 33.0 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.744 -175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.04 -18.37 27.62 Favored Glycine 0 CA--C 1.552 2.373 0 CA-C-O 116.009 -2.55 . . . . 0.0 118.084 -169.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.65 160.89 13.96 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-N 121.077 2.439 . . . . 0.0 110.08 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.4 t -97.65 110.92 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 101.658 -3.46 . . . . 0.0 101.658 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.1 t -103.13 119.85 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 101.987 -3.338 . . . . 0.0 101.987 -171.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.9 162.94 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -114.52 -10.31 12.58 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 116.729 2.122 . . . . 0.0 116.729 -167.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -154.89 161.63 41.37 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.65 -47.97 87.18 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.151 0 CA-C-O 117.217 -1.373 . . . . 0.0 113.428 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.81 -29.16 10.94 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.74 -27.12 61.02 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 120.047 3.351 . . . . 0.0 120.047 162.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.4 -55.07 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-O 117.193 -1.384 . . . . 0.0 109.524 169.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -62.75 -43.99 97.37 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 115.841 -2.028 . . . . 0.0 114.643 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.79 -30.48 44.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 118.456 2.762 . . . . 0.0 118.456 165.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -69.21 -54.99 11.95 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-O 117.719 -1.134 . . . . 0.0 113.825 162.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.32 49.82 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -62.14 -41.97 98.79 Favored 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 126.58 1.952 . . . . 0.0 114.295 166.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -59.68 -33.81 72.05 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -115.93 84.39 13.22 Favored Pre-proline 0 CA--C 1.58 2.113 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.16 -13.41 31.12 Favored 'Trans proline' 0 N--CA 1.504 2.106 0 N-CA-C 119.346 2.787 . . . . 0.0 119.346 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.64 -14.75 34.21 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 115.552 -2.166 . . . . 0.0 115.8 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -103.79 128.2 51.22 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.89 146.4 41.9 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.995 1.318 . . . . 0.0 108.87 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.7 tp -97.53 132.57 43.08 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.97 128.81 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 N-CA-C 101.693 -3.447 . . . . 0.0 101.693 -174.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mm -107.68 107.44 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 101.575 -3.491 . . . . 0.0 101.575 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.33 2.02 52.42 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 118.58 2.807 . . . . 0.0 118.58 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.76 -176.1 21.97 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 169.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.12 -147.29 8.0 Favored Glycine 0 N--CA 1.481 1.65 0 O-C-N 116.979 -3.659 . . . . 0.0 113.076 7.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.56 78.96 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 119.346 3.091 . . . . 0.0 119.346 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -68.69 -30.45 69.12 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 116.79 -1.576 . . . . 0.0 114.115 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.395 1.5 mp -78.25 -41.7 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 CA-C-O 117.492 -1.242 . . . . 0.0 113.849 171.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -61.15 -28.43 69.11 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 171.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.2 m -63.06 -52.93 60.81 Favored 'General case' 0 CA--C 1.57 1.735 0 CA-C-O 116.838 -1.553 . . . . 0.0 112.25 161.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.6 -22.5 63.82 Favored 'General case' 0 CA--C 1.565 1.541 0 N-CA-C 117.697 2.481 . . . . 0.0 117.697 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.42 15.93 20.07 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 120.145 1.339 . . . . 0.0 114.309 166.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -41.08 -46.19 2.88 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 121.129 1.786 . . . . 0.0 115.733 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -75.33 -27.21 59.17 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -98.92 4.93 47.49 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 117.13 -1.415 . . . . 0.0 114.672 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.4 p -73.29 136.69 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.922 0 CA-C-N 121.251 1.841 . . . . 0.0 108.565 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -111.57 -20.77 12.04 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 165.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 91.4 m -131.62 151.27 51.74 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 120.27 1.395 . . . . 0.0 108.264 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.4 mt -124.59 117.43 24.29 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 114.744 -1.116 . . . . 0.0 107.991 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.7 mt -106.55 88.38 2.75 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.262 9.7 p -102.48 138.31 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 -173.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.1 m -105.62 134.32 48.92 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 156.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -116.07 118.01 31.7 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.8 mp -89.15 132.46 34.82 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.83 -22.32 64.07 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 117.554 2.427 . . . . 0.0 117.554 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -92.81 -174.6 41.25 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 116.559 1.384 . . . . 0.0 116.559 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.6 t -128.95 126.78 40.36 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 112.117 -2.041 . . . . 0.0 109.07 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -116.89 156.75 26.83 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -89.51 139.84 30.13 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.44 -159.85 18.6 Favored Glycine 0 C--O 1.241 0.566 0 CA-C-N 112.483 -2.144 . . . . 0.0 109.083 168.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -133.68 -8.15 2.82 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 111.479 -2.361 . . . . 0.0 117.315 -172.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 29.6 m -119.79 137.18 54.12 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -109.96 163.37 13.62 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 113.625 -1.625 . . . . 0.0 107.281 170.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.2 tpt -60.59 141.89 56.13 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.47 154.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.8 pt -55.41 146.75 41.46 Favored Pre-proline 0 CA--C 1.569 1.702 0 CA-C-N 110.363 -3.108 . . . . 0.0 112.187 169.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.53 135.28 26.03 Favored 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 122.681 1.993 . . . . 0.0 113.14 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 53.3 mt -131.96 151.41 51.74 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 124.497 1.123 . . . . 0.0 108.617 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -79.73 81.68 5.95 Favored 'General case' 0 CA--C 1.576 1.952 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -52.8 -28.06 20.87 Favored 'General case' 0 N--CA 1.513 2.702 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -60.69 -33.19 72.47 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 167.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -70.4 -5.73 30.45 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 118.067 2.617 . . . . 0.0 118.067 168.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -126.45 147.7 49.77 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 120.006 1.276 . . . . 0.0 108.778 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 57.6 m -99.47 142.0 31.52 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -78.9 115.96 18.92 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 162.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 63.1 t -84.69 -59.04 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 CA-C-N 112.77 -2.014 . . . . 0.0 107.562 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 26.7 t -130.35 137.1 49.74 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.378 1.049 . . . . 0.0 109.565 -166.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.2 t -140.15 122.01 15.49 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -129.96 121.68 27.05 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 36.0 m -95.31 147.57 23.35 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 122.449 1.119 . . . . 0.0 108.938 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 98.2 t -132.5 125.78 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 101.97 -3.344 . . . . 0.0 101.97 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.68 134.0 41.46 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -114.88 145.1 42.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 124.559 1.162 . . . . 0.0 108.53 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 69.0 p -65.53 -18.55 65.41 Favored 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -83.02 111.94 34.29 Favored Pre-proline 0 CA--C 1.571 1.77 0 CA-C-O 116.01 -1.948 . . . . 0.0 106.373 151.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.82 -24.96 39.81 Favored 'Trans proline' 0 CA--C 1.572 2.382 0 N-CA-C 118.781 2.57 . . . . 0.0 118.781 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -54.22 -23.11 13.45 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 160.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 56.1 mt -96.22 -10.6 27.65 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 66.5 m -50.61 126.03 14.5 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.137 1.375 . . . . 0.0 109.654 161.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -140.16 148.12 41.16 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 125.07 1.481 . . . . 0.0 111.445 -165.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 39.1 m -115.61 131.55 56.9 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.535 ' HH ' ' HA ' ' A' ' 26' ' ' ASP . 55.8 m-85 -91.84 124.18 35.77 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 124.781 1.3 . . . . 0.0 108.429 169.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -132.6 130.77 40.67 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -169.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 92.5 t -108.55 122.9 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 100.411 -3.922 . . . . 0.0 100.411 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -117.94 144.88 45.11 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 124.784 1.302 . . . . 0.0 108.26 171.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -134.47 135.87 42.78 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -65.21 136.18 56.32 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 113.52 -1.673 . . . . 0.0 111.281 -172.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -73.51 152.67 40.59 Favored 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 117.16 -1.4 . . . . 0.0 110.809 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.431 0 CA-C-N 121.967 2.167 . . . . 0.0 113.264 174.514 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' BDM . . . . . 0.82 H152 ' HD2' ' A' ' 30' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 87.8 m . . . . . 0 CA--C 1.558 1.265 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.76 147.24 36.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 124.298 0.999 . . . . 0.0 112.285 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -94.43 121.64 36.18 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 161.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.3 tp -95.51 118.91 33.09 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 124.887 1.367 . . . . 0.0 109.477 169.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 0.289 1.5 p90 -153.09 167.17 30.13 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.38 133.52 38.8 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 124.382 1.073 . . . . 0.0 109.438 164.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -124.05 159.6 29.55 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -78.05 174.65 10.89 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.319 0.648 . . . . 0.0 111.176 154.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.314 26.9 ptt180 -41.26 -46.18 3.11 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 119.343 3.09 . . . . 0.0 119.343 173.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -80.14 1.39 28.25 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 125.656 1.847 . . . . 0.0 113.66 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.63 23.35 62.56 Favored Glycine 0 C--N 1.36 1.867 0 CA-C-O 116.215 -2.436 . . . . 0.0 118.144 -168.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.39 137.35 37.25 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.09 1.945 . . . . 0.0 110.1 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.268 30.2 pt -118.57 -30.41 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 115.842 -2.028 . . . . 0.0 113.715 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.99 157.99 27.46 Favored Glycine 0 C--N 1.356 1.663 0 O-C-N 124.661 1.226 . . . . 0.0 113.414 -170.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -143.13 130.19 20.7 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 103.661 -2.718 . . . . 0.0 103.661 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . 0.263 64.3 m-20 50.88 32.55 7.44 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 167.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.29 10.15 73.89 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 121.961 3.544 . . . . 0.0 121.961 -164.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -131.56 175.53 9.08 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.69 138.4 97.37 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-O 115.551 -2.166 . . . . 0.0 113.813 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -69.29 -11.66 31.97 Favored 'Trans proline' 0 CA--C 1.578 2.694 0 N-CA-C 118.473 2.451 . . . . 0.0 118.473 173.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.5 p90 -137.31 168.57 19.36 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 127.758 2.423 . . . . 0.0 106.117 -171.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -124.36 114.01 18.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 162.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.5 tp -126.5 91.49 47.4 Favored Pre-proline 0 CA--C 1.557 1.24 0 CA-C-N 111.199 -2.728 . . . . 0.0 106.645 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -55.78 -37.84 95.15 Favored 'Trans proline' 0 C--N 1.364 1.389 0 N-CA-C 120.967 3.41 . . . . 0.0 120.967 171.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.93 -43.0 91.1 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.95 -35.73 82.11 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.32 -26.23 38.9 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 117.378 -1.296 . . . . 0.0 113.805 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -63.17 -38.87 92.88 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 159.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -73.09 -29.08 62.67 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 116.301 -1.809 . . . . 0.0 115.433 167.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.808 ' HD2' H151 ' A' ' 163' ' ' BDM . 38.8 t80 -59.07 -46.94 86.98 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 120.776 1.625 . . . . 0.0 114.959 164.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.789 ' HG3' HH22 ' A' ' 57' ' ' ARG . 48.7 ttt180 -44.52 -59.66 2.34 Favored 'General case' 0 CA--C 1.566 1.591 0 CA-C-O 117.142 -1.409 . . . . 0.0 114.629 167.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.91 -18.52 17.07 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -163.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -60.58 -25.0 65.89 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 116.158 1.911 . . . . 0.0 116.158 150.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.1 p -117.21 20.42 13.71 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 115.971 -1.966 . . . . 0.0 115.125 167.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.262 4.7 m -71.98 115.25 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.613 0 CA-C-N 124.721 3.418 . . . . 0.0 106.549 170.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.35 -9.96 61.21 Favored Glycine 0 N--CA 1.48 1.622 0 N-CA-C 121.41 3.324 . . . . 0.0 121.41 -177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -106.06 -179.86 4.06 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 120.136 1.968 . . . . 0.0 106.683 -168.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.65 110.05 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 102.104 -3.295 . . . . 0.0 102.104 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.5 ttt -97.51 125.02 41.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 126.563 2.415 . . . . 0.0 107.199 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.8 t -112.39 136.86 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 102.924 -2.991 . . . . 0.0 102.924 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.3 m -144.52 145.35 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 103.267 -2.864 . . . . 0.0 103.267 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.89 144.89 44.14 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.985 158.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -43.32 -41.0 3.83 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 177.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.3 ttm105 -65.99 -53.48 38.31 Favored 'General case' 0 CA--C 1.565 1.521 0 CA-C-O 117.315 -1.326 . . . . 0.0 113.698 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.1 m -53.81 -38.0 64.1 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-O 115.083 -2.389 . . . . 0.0 112.969 171.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.09 -50.0 74.97 Favored 'General case' 0 CA--C 1.569 1.677 0 CA-C-N 121.179 1.809 . . . . 0.0 115.76 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -60.21 -35.58 75.76 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.986 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.2 p -76.76 -1.79 29.84 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -73.65 124.59 90.45 Favored Pre-proline 0 CA--C 1.565 1.539 0 CA-C-O 115.921 -1.99 . . . . 0.0 110.436 168.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.66 ' CD ' BR11 ' A' ' 163' ' ' BDM . 53.4 Cg_exo -48.36 -48.97 15.43 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.743 2.962 . . . . 0.0 118.378 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -94.39 139.76 30.69 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 166.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -135.26 110.06 10.6 Favored Pre-proline 0 CA--C 1.565 1.533 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -174.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.12 153.5 88.1 Favored 'Cis proline' 0 C--N 1.375 1.922 0 CA-C-N 122.956 2.091 . . . . 0.0 111.274 -16.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 54' ' ' LEU 0.258 2.2 pt? -67.71 132.36 92.61 Favored Pre-proline 0 CA--C 1.59 2.491 0 CA-C-O 116.621 -1.657 . . . . 0.0 111.719 156.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.11 178.73 6.86 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 124.082 3.188 . . . . 0.0 115.18 -159.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . 0.257 34.5 mt-10 73.75 -0.71 3.28 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 163.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.789 HH22 ' HG3' ' A' ' 31' ' ' ARG . 15.4 ptp180 -130.4 168.7 16.54 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 101.844 -3.391 . . . . 0.0 101.844 -175.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.3 m -84.6 123.76 30.68 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 156.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -96.85 124.12 40.74 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 165.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.0 t -115.04 131.14 68.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 100.471 -3.9 . . . . 0.0 100.471 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.6 t -120.82 120.34 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 100.478 -3.897 . . . . 0.0 100.478 -172.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 mt -92.88 125.56 37.54 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.222 171.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 t -147.38 139.55 24.44 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.64 -5.21 58.71 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 121.501 1.955 . . . . 0.0 114.561 164.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -78.69 103.64 8.77 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -46.26 -40.19 11.15 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -86.49 -3.64 59.04 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.11 136.84 58.12 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 120.888 1.676 . . . . 0.0 112.3 -169.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -116.53 121.32 41.44 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 126.007 2.067 . . . . 0.0 106.487 -170.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.39 107.16 5.37 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 104.391 -2.448 . . . . 0.0 104.391 168.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -79.02 128.23 33.0 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.744 -175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.04 -18.37 27.62 Favored Glycine 0 CA--C 1.552 2.373 0 CA-C-O 116.009 -2.55 . . . . 0.0 118.084 -169.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.65 160.89 13.96 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-N 121.077 2.439 . . . . 0.0 110.08 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.4 t -97.65 110.92 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 101.658 -3.46 . . . . 0.0 101.658 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.1 t -103.13 119.85 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 101.987 -3.338 . . . . 0.0 101.987 -171.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.9 162.94 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -114.52 -10.31 12.58 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 116.729 2.122 . . . . 0.0 116.729 -167.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -154.89 161.63 41.37 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.65 -47.97 87.18 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.151 0 CA-C-O 117.217 -1.373 . . . . 0.0 113.428 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.81 -29.16 10.94 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.74 -27.12 61.02 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 120.047 3.351 . . . . 0.0 120.047 162.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.4 -55.07 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-O 117.193 -1.384 . . . . 0.0 109.524 169.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -62.75 -43.99 97.37 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 115.841 -2.028 . . . . 0.0 114.643 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.79 -30.48 44.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 118.456 2.762 . . . . 0.0 118.456 165.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -69.21 -54.99 11.95 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-O 117.719 -1.134 . . . . 0.0 113.825 162.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.32 49.82 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -62.14 -41.97 98.79 Favored 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 126.58 1.952 . . . . 0.0 114.295 166.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -59.68 -33.81 72.05 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -115.93 84.39 13.22 Favored Pre-proline 0 CA--C 1.58 2.113 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.16 -13.41 31.12 Favored 'Trans proline' 0 N--CA 1.504 2.106 0 N-CA-C 119.346 2.787 . . . . 0.0 119.346 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.64 -14.75 34.21 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 115.552 -2.166 . . . . 0.0 115.8 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -103.79 128.2 51.22 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.89 146.4 41.9 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.995 1.318 . . . . 0.0 108.87 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.7 tp -97.53 132.57 43.08 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.97 128.81 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 N-CA-C 101.693 -3.447 . . . . 0.0 101.693 -174.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mm -107.68 107.44 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 101.575 -3.491 . . . . 0.0 101.575 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.33 2.02 52.42 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 118.58 2.807 . . . . 0.0 118.58 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.76 -176.1 21.97 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 169.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.12 -147.29 8.0 Favored Glycine 0 N--CA 1.481 1.65 0 O-C-N 116.979 -3.659 . . . . 0.0 113.076 7.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.56 78.96 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 119.346 3.091 . . . . 0.0 119.346 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -68.69 -30.45 69.12 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 116.79 -1.576 . . . . 0.0 114.115 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.395 1.5 mp -78.25 -41.7 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 CA-C-O 117.492 -1.242 . . . . 0.0 113.849 171.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -61.15 -28.43 69.11 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 171.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.2 m -63.06 -52.93 60.81 Favored 'General case' 0 CA--C 1.57 1.735 0 CA-C-O 116.838 -1.553 . . . . 0.0 112.25 161.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.6 -22.5 63.82 Favored 'General case' 0 CA--C 1.565 1.541 0 N-CA-C 117.697 2.481 . . . . 0.0 117.697 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.42 15.93 20.07 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 120.145 1.339 . . . . 0.0 114.309 166.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -41.08 -46.19 2.88 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 121.129 1.786 . . . . 0.0 115.733 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -75.33 -27.21 59.17 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -98.92 4.93 47.49 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 117.13 -1.415 . . . . 0.0 114.672 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.4 p -73.29 136.69 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.922 0 CA-C-N 121.251 1.841 . . . . 0.0 108.565 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -111.57 -20.77 12.04 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 165.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 91.4 m -131.62 151.27 51.74 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 120.27 1.395 . . . . 0.0 108.264 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.4 mt -124.59 117.43 24.29 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 114.744 -1.116 . . . . 0.0 107.991 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.7 mt -106.55 88.38 2.75 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.262 9.7 p -102.48 138.31 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 -173.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.1 m -105.62 134.32 48.92 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 156.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -116.07 118.01 31.7 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.8 mp -89.15 132.46 34.82 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.83 -22.32 64.07 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 117.554 2.427 . . . . 0.0 117.554 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -92.81 -174.6 41.25 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 116.559 1.384 . . . . 0.0 116.559 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.6 t -128.95 126.78 40.36 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 112.117 -2.041 . . . . 0.0 109.07 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -116.89 156.75 26.83 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -89.51 139.84 30.13 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.44 -159.85 18.6 Favored Glycine 0 C--O 1.241 0.566 0 CA-C-N 112.483 -2.144 . . . . 0.0 109.083 168.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -133.68 -8.15 2.82 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 111.479 -2.361 . . . . 0.0 117.315 -172.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 29.6 m -119.79 137.18 54.12 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -109.96 163.37 13.62 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 113.625 -1.625 . . . . 0.0 107.281 170.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.2 tpt -60.59 141.89 56.13 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.47 154.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.8 pt -55.41 146.75 41.46 Favored Pre-proline 0 CA--C 1.569 1.702 0 CA-C-N 110.363 -3.108 . . . . 0.0 112.187 169.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.53 135.28 26.03 Favored 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 122.681 1.993 . . . . 0.0 113.14 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 53.3 mt -131.96 151.41 51.74 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 124.497 1.123 . . . . 0.0 108.617 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -79.73 81.68 5.95 Favored 'General case' 0 CA--C 1.576 1.952 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -52.8 -28.06 20.87 Favored 'General case' 0 N--CA 1.513 2.702 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -60.69 -33.19 72.47 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 167.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -70.4 -5.73 30.45 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 118.067 2.617 . . . . 0.0 118.067 168.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -126.45 147.7 49.77 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 120.006 1.276 . . . . 0.0 108.778 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 57.6 m -99.47 142.0 31.52 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -78.9 115.96 18.92 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 162.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 63.1 t -84.69 -59.04 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 CA-C-N 112.77 -2.014 . . . . 0.0 107.562 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 26.7 t -130.35 137.1 49.74 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.378 1.049 . . . . 0.0 109.565 -166.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.2 t -140.15 122.01 15.49 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -129.96 121.68 27.05 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 36.0 m -95.31 147.57 23.35 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 122.449 1.119 . . . . 0.0 108.938 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 98.2 t -132.5 125.78 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 101.97 -3.344 . . . . 0.0 101.97 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.68 134.0 41.46 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -114.88 145.1 42.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 124.559 1.162 . . . . 0.0 108.53 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 69.0 p -65.53 -18.55 65.41 Favored 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -83.02 111.94 34.29 Favored Pre-proline 0 CA--C 1.571 1.77 0 CA-C-O 116.01 -1.948 . . . . 0.0 106.373 151.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.82 -24.96 39.81 Favored 'Trans proline' 0 CA--C 1.572 2.382 0 N-CA-C 118.781 2.57 . . . . 0.0 118.781 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -54.22 -23.11 13.45 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 160.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 56.1 mt -96.22 -10.6 27.65 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 66.5 m -50.61 126.03 14.5 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.137 1.375 . . . . 0.0 109.654 161.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -140.16 148.12 41.16 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 125.07 1.481 . . . . 0.0 111.445 -165.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 39.1 m -115.61 131.55 56.9 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -91.84 124.18 35.77 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 124.781 1.3 . . . . 0.0 108.429 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -132.6 130.77 40.67 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -169.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 92.5 t -108.55 122.9 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 100.411 -3.922 . . . . 0.0 100.411 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -117.94 144.88 45.11 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 124.784 1.302 . . . . 0.0 108.26 171.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -134.47 135.87 42.78 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -65.21 136.18 56.32 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 113.52 -1.673 . . . . 0.0 111.281 -172.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -73.51 152.67 40.59 Favored 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 117.16 -1.4 . . . . 0.0 110.809 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.431 0 CA-C-N 121.967 2.167 . . . . 0.0 113.264 174.514 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 163' ' ' BDM . . . . . 0.808 H151 ' HD2' ' A' ' 30' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 87.8 m . . . . . 0 CA--C 1.558 1.265 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.76 147.24 36.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 124.298 0.999 . . . . 0.0 112.285 172.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -94.43 121.64 36.18 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 161.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.3 tp -95.51 118.91 33.09 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 124.887 1.367 . . . . 0.0 109.477 169.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 0.289 1.5 p90 -153.09 167.17 30.13 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.38 133.52 38.8 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 124.382 1.073 . . . . 0.0 109.438 164.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -124.05 159.6 29.55 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -78.05 174.65 10.89 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.319 0.648 . . . . 0.0 111.176 154.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.314 26.9 ptt180 -41.26 -46.18 3.11 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 119.343 3.09 . . . . 0.0 119.343 173.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -80.14 1.39 28.25 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 125.656 1.847 . . . . 0.0 113.66 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.63 23.35 62.56 Favored Glycine 0 C--N 1.36 1.867 0 CA-C-O 116.215 -2.436 . . . . 0.0 118.144 -168.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 tp -79.39 137.35 37.25 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.09 1.945 . . . . 0.0 110.1 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.268 30.2 pt -118.57 -30.41 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 CA-C-O 115.842 -2.028 . . . . 0.0 113.715 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.99 157.99 27.46 Favored Glycine 0 C--N 1.356 1.663 0 O-C-N 124.661 1.226 . . . . 0.0 113.414 -170.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -143.13 130.19 20.7 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 103.661 -2.718 . . . . 0.0 103.661 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . 0.263 64.3 m-20 50.88 32.55 7.44 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 167.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.29 10.15 73.89 Favored Glycine 0 N--CA 1.484 1.834 0 N-CA-C 121.961 3.544 . . . . 0.0 121.961 -164.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -131.56 175.53 9.08 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.69 138.4 97.37 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-O 115.551 -2.166 . . . . 0.0 113.813 169.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -69.29 -11.66 31.97 Favored 'Trans proline' 0 CA--C 1.578 2.694 0 N-CA-C 118.473 2.451 . . . . 0.0 118.473 173.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.5 p90 -137.31 168.57 19.36 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 127.758 2.423 . . . . 0.0 106.117 -171.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -124.36 114.01 18.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 162.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.5 tp -126.5 91.49 47.4 Favored Pre-proline 0 CA--C 1.557 1.24 0 CA-C-N 111.199 -2.728 . . . . 0.0 106.645 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_exo -55.78 -37.84 95.15 Favored 'Trans proline' 0 C--N 1.364 1.389 0 N-CA-C 120.967 3.41 . . . . 0.0 120.967 171.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.93 -43.0 91.1 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -64.95 -35.73 82.11 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 172.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.32 -26.23 38.9 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 117.378 -1.296 . . . . 0.0 113.805 175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -63.17 -38.87 92.88 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 159.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -73.09 -29.08 62.67 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 116.301 -1.809 . . . . 0.0 115.433 167.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.808 ' HD2' H151 ' A' ' 163' ' ' BDM . 38.8 t80 -59.07 -46.94 86.98 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 120.776 1.625 . . . . 0.0 114.959 164.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.789 ' HG3' HH22 ' A' ' 57' ' ' ARG . 48.7 ttt180 -44.52 -59.66 2.34 Favored 'General case' 0 CA--C 1.566 1.591 0 CA-C-O 117.142 -1.409 . . . . 0.0 114.629 167.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.91 -18.52 17.07 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -163.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -60.58 -25.0 65.89 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 116.158 1.911 . . . . 0.0 116.158 150.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.1 p -117.21 20.42 13.71 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 115.971 -1.966 . . . . 0.0 115.125 167.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.262 4.7 m -71.98 115.25 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.613 0 CA-C-N 124.721 3.418 . . . . 0.0 106.549 170.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.35 -9.96 61.21 Favored Glycine 0 N--CA 1.48 1.622 0 N-CA-C 121.41 3.324 . . . . 0.0 121.41 -177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -106.06 -179.86 4.06 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 120.136 1.968 . . . . 0.0 106.683 -168.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.2 mt -96.65 110.05 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 102.104 -3.295 . . . . 0.0 102.104 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.5 ttt -97.51 125.02 41.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 126.563 2.415 . . . . 0.0 107.199 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.8 t -112.39 136.86 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 N-CA-C 102.924 -2.991 . . . . 0.0 102.924 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.3 m -144.52 145.35 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 103.267 -2.864 . . . . 0.0 103.267 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.89 144.89 44.14 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.985 158.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -43.32 -41.0 3.83 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 177.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.3 ttm105 -65.99 -53.48 38.31 Favored 'General case' 0 CA--C 1.565 1.521 0 CA-C-O 117.315 -1.326 . . . . 0.0 113.698 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.1 m -53.81 -38.0 64.1 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-O 115.083 -2.389 . . . . 0.0 112.969 171.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.09 -50.0 74.97 Favored 'General case' 0 CA--C 1.569 1.677 0 CA-C-N 121.179 1.809 . . . . 0.0 115.76 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -60.21 -35.58 75.76 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.986 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.2 p -76.76 -1.79 29.84 Favored 'General case' 0 CA--C 1.555 1.147 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -73.65 124.59 90.45 Favored Pre-proline 0 CA--C 1.565 1.539 0 CA-C-O 115.921 -1.99 . . . . 0.0 110.436 168.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.66 ' CD ' BR11 ' A' ' 163' ' ' BDM . 53.4 Cg_exo -48.36 -48.97 15.43 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.743 2.962 . . . . 0.0 118.378 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -94.39 139.76 30.69 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 166.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -135.26 110.06 10.6 Favored Pre-proline 0 CA--C 1.565 1.533 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 -174.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.12 153.5 88.1 Favored 'Cis proline' 0 C--N 1.375 1.922 0 CA-C-N 122.956 2.091 . . . . 0.0 111.274 -16.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.508 HD23 ' H ' ' A' ' 54' ' ' LEU 0.258 2.2 pt? -67.71 132.36 92.61 Favored Pre-proline 0 CA--C 1.59 2.491 0 CA-C-O 116.621 -1.657 . . . . 0.0 111.719 156.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.11 178.73 6.86 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 124.082 3.188 . . . . 0.0 115.18 -159.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . 0.257 34.5 mt-10 73.75 -0.71 3.28 Favored 'General case' 0 N--CA 1.508 2.461 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 163.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.789 HH22 ' HG3' ' A' ' 31' ' ' ARG . 15.4 ptp180 -130.4 168.7 16.54 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 101.844 -3.391 . . . . 0.0 101.844 -175.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.3 m -84.6 123.76 30.68 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 156.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -96.85 124.12 40.74 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 165.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.0 t -115.04 131.14 68.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 100.471 -3.9 . . . . 0.0 100.471 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.6 t -120.82 120.34 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 100.478 -3.897 . . . . 0.0 100.478 -172.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 mt -92.88 125.56 37.54 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.222 171.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.9 t -147.38 139.55 24.44 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -82.64 -5.21 58.71 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 121.501 1.955 . . . . 0.0 114.561 164.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -78.69 103.64 8.77 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -46.26 -40.19 11.15 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -86.49 -3.64 59.04 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.11 136.84 58.12 Favored 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 120.888 1.676 . . . . 0.0 112.3 -169.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -116.53 121.32 41.44 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 126.007 2.067 . . . . 0.0 106.487 -170.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.39 107.16 5.37 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 104.391 -2.448 . . . . 0.0 104.391 168.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -79.02 128.23 33.0 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.744 -175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.04 -18.37 27.62 Favored Glycine 0 CA--C 1.552 2.373 0 CA-C-O 116.009 -2.55 . . . . 0.0 118.084 -169.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.65 160.89 13.96 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-N 121.077 2.439 . . . . 0.0 110.08 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.4 t -97.65 110.92 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 N-CA-C 101.658 -3.46 . . . . 0.0 101.658 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.1 t -103.13 119.85 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 N-CA-C 101.987 -3.338 . . . . 0.0 101.987 -171.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.8 m -137.9 162.94 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 N-CA-C 105.967 -1.864 . . . . 0.0 105.967 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -114.52 -10.31 12.58 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 116.729 2.122 . . . . 0.0 116.729 -167.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -154.89 161.63 41.37 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.65 -47.97 87.18 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.151 0 CA-C-O 117.217 -1.373 . . . . 0.0 113.428 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.81 -29.16 10.94 Favored 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.74 -27.12 61.02 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 120.047 3.351 . . . . 0.0 120.047 162.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.4 t -66.4 -55.07 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-O 117.193 -1.384 . . . . 0.0 109.524 169.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -62.75 -43.99 97.37 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 115.841 -2.028 . . . . 0.0 114.643 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.79 -30.48 44.99 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 118.456 2.762 . . . . 0.0 118.456 165.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -69.21 -54.99 11.95 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-O 117.719 -1.134 . . . . 0.0 113.825 162.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.32 49.82 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -62.14 -41.97 98.79 Favored 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 126.58 1.952 . . . . 0.0 114.295 166.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -59.68 -33.81 72.05 Favored 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -115.93 84.39 13.22 Favored Pre-proline 0 CA--C 1.58 2.113 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -71.16 -13.41 31.12 Favored 'Trans proline' 0 N--CA 1.504 2.106 0 N-CA-C 119.346 2.787 . . . . 0.0 119.346 177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.64 -14.75 34.21 Favored 'General case' 0 CA--C 1.561 1.367 0 CA-C-O 115.552 -2.166 . . . . 0.0 115.8 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -103.79 128.2 51.22 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.89 146.4 41.9 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.995 1.318 . . . . 0.0 108.87 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.7 tp -97.53 132.57 43.08 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.97 128.81 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 N-CA-C 101.693 -3.447 . . . . 0.0 101.693 -174.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mm -107.68 107.44 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 N-CA-C 101.575 -3.491 . . . . 0.0 101.575 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.33 2.02 52.42 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 118.58 2.807 . . . . 0.0 118.58 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.76 -176.1 21.97 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 169.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.12 -147.29 8.0 Favored Glycine 0 N--CA 1.481 1.65 0 O-C-N 116.979 -3.659 . . . . 0.0 113.076 7.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.56 78.96 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 119.346 3.091 . . . . 0.0 119.346 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -68.69 -30.45 69.12 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 116.79 -1.576 . . . . 0.0 114.115 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.395 1.5 mp -78.25 -41.7 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 CA-C-O 117.492 -1.242 . . . . 0.0 113.849 171.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -61.15 -28.43 69.11 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 171.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.2 m -63.06 -52.93 60.81 Favored 'General case' 0 CA--C 1.57 1.735 0 CA-C-O 116.838 -1.553 . . . . 0.0 112.25 161.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.6 -22.5 63.82 Favored 'General case' 0 CA--C 1.565 1.541 0 N-CA-C 117.697 2.481 . . . . 0.0 117.697 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.42 15.93 20.07 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 120.145 1.339 . . . . 0.0 114.309 166.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -41.08 -46.19 2.88 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 121.129 1.786 . . . . 0.0 115.733 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -75.33 -27.21 59.17 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -98.92 4.93 47.49 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 117.13 -1.415 . . . . 0.0 114.672 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.4 p -73.29 136.69 24.92 Favored 'Isoleucine or valine' 0 CA--C 1.575 1.922 0 CA-C-N 121.251 1.841 . . . . 0.0 108.565 175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -111.57 -20.77 12.04 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 165.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 91.4 m -131.62 151.27 51.74 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 120.27 1.395 . . . . 0.0 108.264 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 38.4 mt -124.59 117.43 24.29 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 114.744 -1.116 . . . . 0.0 107.991 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 77.7 mt -106.55 88.38 2.75 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.262 9.7 p -102.48 138.31 27.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 105.488 -2.041 . . . . 0.0 105.488 -173.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 24.1 m -105.62 134.32 48.92 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 104.376 -2.453 . . . . 0.0 104.376 156.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -116.07 118.01 31.7 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.8 mp -89.15 132.46 34.82 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.83 -22.32 64.07 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 117.554 2.427 . . . . 0.0 117.554 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -92.81 -174.6 41.25 Favored Glycine 0 C--N 1.357 1.701 0 N-CA-C 116.559 1.384 . . . . 0.0 116.559 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.6 t -128.95 126.78 40.36 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 112.117 -2.041 . . . . 0.0 109.07 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -116.89 156.75 26.83 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -89.51 139.84 30.13 Favored 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 171.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.44 -159.85 18.6 Favored Glycine 0 C--O 1.241 0.566 0 CA-C-N 112.483 -2.144 . . . . 0.0 109.083 168.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -133.68 -8.15 2.82 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 111.479 -2.361 . . . . 0.0 117.315 -172.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 29.6 m -119.79 137.18 54.12 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 104.824 -2.287 . . . . 0.0 104.824 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -109.96 163.37 13.62 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 113.625 -1.625 . . . . 0.0 107.281 170.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 15.2 tpt -60.59 141.89 56.13 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.47 154.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.8 pt -55.41 146.75 41.46 Favored Pre-proline 0 CA--C 1.569 1.702 0 CA-C-N 110.363 -3.108 . . . . 0.0 112.187 169.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -71.53 135.28 26.03 Favored 'Trans proline' 0 C--N 1.361 1.225 0 CA-C-N 122.681 1.993 . . . . 0.0 113.14 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 53.3 mt -131.96 151.41 51.74 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 124.497 1.123 . . . . 0.0 108.617 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -79.73 81.68 5.95 Favored 'General case' 0 CA--C 1.576 1.952 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -52.8 -28.06 20.87 Favored 'General case' 0 N--CA 1.513 2.702 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -60.69 -33.19 72.47 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 116.57 2.063 . . . . 0.0 116.57 167.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -70.4 -5.73 30.45 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 118.067 2.617 . . . . 0.0 118.067 168.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -126.45 147.7 49.77 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 120.006 1.276 . . . . 0.0 108.778 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 57.6 m -99.47 142.0 31.52 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 171.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -78.9 115.96 18.92 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 162.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 63.1 t -84.69 -59.04 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 CA-C-N 112.77 -2.014 . . . . 0.0 107.562 176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 26.7 t -130.35 137.1 49.74 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.378 1.049 . . . . 0.0 109.565 -166.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.2 t -140.15 122.01 15.49 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -129.96 121.68 27.05 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 36.0 m -95.31 147.57 23.35 Favored 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 122.449 1.119 . . . . 0.0 108.938 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 98.2 t -132.5 125.78 53.99 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 101.97 -3.344 . . . . 0.0 101.97 177.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -97.68 134.0 41.46 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -114.88 145.1 42.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 124.559 1.162 . . . . 0.0 108.53 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 69.0 p -65.53 -18.55 65.41 Favored 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -83.02 111.94 34.29 Favored Pre-proline 0 CA--C 1.571 1.77 0 CA-C-O 116.01 -1.948 . . . . 0.0 106.373 151.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.82 -24.96 39.81 Favored 'Trans proline' 0 CA--C 1.572 2.382 0 N-CA-C 118.781 2.57 . . . . 0.0 118.781 -176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -54.22 -23.11 13.45 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 160.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 56.1 mt -96.22 -10.6 27.65 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 66.5 m -50.61 126.03 14.5 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.137 1.375 . . . . 0.0 109.654 161.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -140.16 148.12 41.16 Favored 'General case' 0 N--CA 1.483 1.223 0 O-C-N 125.07 1.481 . . . . 0.0 111.445 -165.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 39.1 m -115.61 131.55 56.9 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -91.84 124.18 35.77 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 124.781 1.3 . . . . 0.0 108.429 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -132.6 130.77 40.67 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -169.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 92.5 t -108.55 122.9 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 100.411 -3.922 . . . . 0.0 100.411 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 26.4 m95 -117.94 144.88 45.11 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 124.784 1.302 . . . . 0.0 108.26 171.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -134.47 135.87 42.78 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -65.21 136.18 56.32 Favored 'General case' 0 CA--C 1.557 1.245 0 CA-C-N 113.52 -1.673 . . . . 0.0 111.281 -172.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -73.51 152.67 40.59 Favored 'General case' 0 N--CA 1.512 2.64 0 CA-C-O 117.16 -1.4 . . . . 0.0 110.809 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.431 0 CA-C-N 121.967 2.167 . . . . 0.0 113.264 174.514 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' BDM . . . . . 0.808 H151 ' HD2' ' A' ' 30' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_