data_1z7r_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 1z7r _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.297 11.2 ptm . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 117.261 -1.352 . . . . 10.0 112.246 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 138.18 -17.57 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 130.575 3.55 . . . . 10.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -56.54 -24.86 49.7 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.487 1.662 . . . . 10.0 115.487 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -64.26 -49.36 72.17 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 121.769 2.077 . . . . 10.0 110.058 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.79 -40.18 83.98 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 119.22 -0.419 . . . . 10.0 109.95 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -72.82 -31.26 64.67 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.182 0.901 . . . . 10.0 111.132 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.31 -40.71 86.03 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 119.133 0.879 . . . . 10.0 109.369 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.89 -38.81 89.73 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.723 0.692 . . . . 10.0 111.714 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.36 88.51 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.467 -0.77 . . . . 10.0 110.515 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.17 77.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.794 0.838 . . . . 10.0 111.032 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.15 -46.43 84.12 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 119.225 0.921 . . . . 10.0 110.065 172.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -61.27 -43.49 98.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.236 0.471 . . . . 10.0 110.36 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -58.35 -48.66 79.87 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.401 0.68 . . . . 10.0 109.797 173.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.54 98.98 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.78 0.718 . . . . 10.0 111.461 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -61.48 -44.76 96.51 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.247 0.93 . . . . 10.0 110.492 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.51 -46.01 84.78 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.943 -0.392 . . . . 10.0 109.943 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.94 -48.03 81.14 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.914 0.886 . . . . 10.0 110.09 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -16.78 48.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.661 1.585 . . . . 10.0 112.848 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 m -110.9 -2.43 16.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.969 1.307 . . . . 10.0 111.667 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -76.66 -12.67 60.04 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.648 0.779 . . . . 10.0 112.66 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.02 161.65 29.17 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.307 1.443 . . . . 10.0 108.555 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.84 -14.11 38.22 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.562 2.174 . . . . 10.0 113.294 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.55 138.23 28.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 105.894 -1.891 . . . . 10.0 105.894 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.03 138.4 37.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.72 -1.215 . . . . 10.0 107.72 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.1 t -126.06 92.1 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 124.836 1.254 . . . . 10.0 107.788 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -67.71 125.98 27.94 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 104.856 -2.276 . . . . 10.0 104.856 169.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 p -153.96 -171.46 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.709 0.803 . . . . 10.0 110.795 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -133.75 169.78 16.53 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.374 1.069 . . . . 10.0 108.587 169.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 p -66.62 -20.52 66.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.361 1.865 . . . . 10.0 115.887 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -130.21 -21.41 2.93 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 115.573 1.694 . . . . 10.0 115.573 -168.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 m -60.13 129.63 42.7 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.639 1.108 . . . . 10.0 112.084 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.75 -34.84 71.91 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.601 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -65.6 -38.53 89.75 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.175 0.988 . . . . 10.0 111.89 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.7 m -65.98 -44.56 84.53 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 118.501 0.591 . . . . 10.0 109.431 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -55.38 -46.54 76.51 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 119.06 -0.495 . . . . 10.0 110.617 171.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -54.65 -48.84 71.82 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 119.34 0.973 . . . . 10.0 111.317 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.79 -46.99 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 119.019 0.827 . . . . 10.0 110.489 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -54.51 -49.87 69.17 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.315 0.507 . . . . 10.0 110.514 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -62.75 -41.53 99.25 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.482 0.713 . . . . 10.0 110.23 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.41 -50.37 73.88 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.235 1.014 . . . . 10.0 109.644 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.64 -39.35 88.21 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.971 0.908 . . . . 10.0 111.213 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -61.78 -44.2 97.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.081 0.552 . . . . 10.0 110.026 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -66.28 -36.95 84.29 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.294 0.497 . . . . 10.0 111.335 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.5 m -78.46 -7.79 10.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 118.377 0.535 . . . . 10.0 112.07 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.63 29.15 58.17 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.782 0.706 . . . . 10.0 112.014 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.54 145.27 41.41 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.127 0.964 . . . . 10.0 109.52 174.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.2 m -89.52 129.24 36.03 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.694 -1.965 . . . . 10.0 105.694 169.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -148.51 160.1 43.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.742 0.701 . . . . 10.0 111.204 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -111.86 156.42 22.05 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.339 1.856 . . . . 10.0 107.482 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.76 145.47 35.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 106.289 -1.745 . . . . 10.0 106.289 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.5 t -130.88 89.08 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 104.919 -2.252 . . . . 10.0 104.919 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -75.66 91.71 2.91 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 107.343 -1.354 . . . . 10.0 107.343 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.7 mt -56.14 -33.67 65.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.638 1.575 . . . . 10.0 112.034 -169.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -63.79 -26.5 68.66 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.858 0.754 . . . . 10.0 112.441 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -94.7 -19.16 20.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.051 0.94 . . . . 10.0 111.724 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -67.88 139.77 56.51 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.56 0.618 . . . . 10.0 109.958 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -60.0 -18.12 43.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.463 1.505 . . . . 10.0 114.302 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -132.59 23.55 4.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.735 1.214 . . . . 10.0 110.297 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -42.5 -52.33 5.33 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 126.836 2.16 . . . . 10.0 115.101 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 m -62.12 -41.86 98.66 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.225 1.013 . . . . 10.0 112.341 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -74.91 -34.04 62.09 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.534 -0.729 . . . . 10.0 110.03 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -45.35 94.2 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.512 0.725 . . . . 10.0 109.7 173.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -62.34 -40.77 97.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.407 -0.808 . . . . 10.0 110.295 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.8 m -61.69 -39.21 90.66 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.045 0.384 . . . . 10.0 110.668 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.11 94.38 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.424 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.49 -46.47 80.47 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.465 0.575 . . . . 10.0 110.275 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.45 73.81 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.409 0.549 . . . . 10.0 111.553 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.53 -43.03 89.06 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.246 1.018 . . . . 10.0 111.119 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -77.8 -40.59 40.15 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.312 1.045 . . . . 10.0 111.916 -170.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.9 p -107.76 -15.89 14.46 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -169.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.09 15.74 67.8 Favored Glycine 0 CA--C 1.536 1.368 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -169.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -143.25 64.54 1.35 Allowed 'General case' 0 C--N 1.343 0.296 0 C-N-CA 125.631 1.572 . . . . 10.0 107.704 -171.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.61 -6.37 49.47 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.243 -0.754 . . . . 10.0 114.064 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -62.62 169.71 2.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.321 1.448 . . . . 10.0 111.137 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.81 151.75 78.68 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 124.13 0.972 . . . . 10.0 109.433 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.35 155.83 91.95 Favored 'Cis proline' 0 N--CA 1.457 -0.64 0 C-N-CA 125.237 -0.734 . . . . 10.0 111.011 -10.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -125.66 123.36 38.78 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 104.014 -2.588 . . . . 10.0 104.014 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.1 141.64 31.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 C-N-CA 123.6 0.76 . . . . 10.0 110.208 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -126.81 144.97 50.8 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 126.223 1.809 . . . . 10.0 107.224 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.0 mt -138.63 138.48 42.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 105.488 -2.041 . . . . 10.0 105.488 174.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 57.46 29.46 60.68 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.892 0.758 . . . . 10.0 112.845 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.46 20.26 76.86 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 118.979 -0.9 . . . . 10.0 113.505 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -128.35 138.37 52.34 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.998 1.399 . . . . 10.0 108.097 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -70.52 138.88 51.38 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.5 mm -110.15 -47.57 6.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.62 -138.87 5.83 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 109.011 -1.636 . . . . 10.0 109.011 -171.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.88 -158.49 7.85 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.6 p -48.44 -55.31 11.23 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 125.17 1.388 . . . . 10.0 112.525 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.3 -38.2 85.98 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 119.713 -0.184 . . . . 10.0 111.192 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 m -62.26 -51.67 66.8 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.06 0.544 . . . . 10.0 110.305 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.27 -34.8 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-O 118.326 -0.845 . . . . 10.0 110.811 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.17 -43.85 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 119.729 1.149 . . . . 10.0 108.976 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.55 -48.43 77.49 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.952 0.796 . . . . 10.0 110.229 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -63.24 -32.73 74.21 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 118.526 -0.75 . . . . 10.0 110.613 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -67.02 -46.21 75.14 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 120.071 1.305 . . . . 10.0 110.044 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.44 -37.11 84.6 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.577 0.626 . . . . 10.0 111.286 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -75.5 1.29 14.54 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.789 0.835 . . . . 10.0 113.067 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 65.1 t30 48.87 39.27 13.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.096 1.759 . . . . 10.0 111.781 -173.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -106.36 -28.28 10.46 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.953 1.701 . . . . 10.0 109.887 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.12 -38.69 92.2 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 123.0 0.52 . . . . 10.0 110.333 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -55.91 37.56 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 117.177 -1.392 . . . . 10.0 111.312 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -47.7 -45.79 22.88 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.847 2.365 . . . . 10.0 113.597 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.47 -42.97 98.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.881 0.472 . . . . 10.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.2 mt -66.5 -39.92 88.96 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 118.638 -0.696 . . . . 10.0 111.187 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -66.52 -38.18 86.63 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 119.024 0.829 . . . . 10.0 110.186 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.58 -37.45 86.68 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.851 0.461 . . . . 10.0 111.387 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.34 -3.7 28.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.807 0.843 . . . . 10.0 112.693 170.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.07 26.14 1.97 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.984 2.114 . . . . 10.0 112.869 -169.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.66 69.29 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.045 0.938 . . . . 10.0 110.603 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 p -83.5 111.55 19.17 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.348 -1.353 . . . . 10.0 107.348 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.87 -5.72 9.97 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.482 0.919 . . . . 10.0 113.482 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -49.49 -39.31 33.41 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.997 1.319 . . . . 10.0 112.293 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -145.68 94.76 5.04 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.64 2.65 6.71 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.037 2.491 . . . . 10.0 113.355 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -119.22 19.96 12.72 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.431 1.092 . . . . 10.0 112.561 -169.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 70.9 155.44 0.14 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.364 2.265 . . . . 10.0 111.997 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.137 0 N-CA-C 107.729 -1.211 . . . . 10.0 107.729 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.297 11.2 ptm . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 117.261 -1.352 . . . . 10.0 112.246 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 138.18 -17.57 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 130.575 3.55 . . . . 10.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -56.54 -24.86 49.7 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.487 1.662 . . . . 10.0 115.487 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -64.26 -49.36 72.17 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 121.769 2.077 . . . . 10.0 110.058 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.79 -40.18 83.98 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 119.22 -0.419 . . . . 10.0 109.95 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -72.82 -31.26 64.67 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.182 0.901 . . . . 10.0 111.132 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.31 -40.71 86.03 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 119.133 0.879 . . . . 10.0 109.369 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.89 -38.81 89.73 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.723 0.692 . . . . 10.0 111.714 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.36 88.51 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.467 -0.77 . . . . 10.0 110.515 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.17 77.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.794 0.838 . . . . 10.0 111.032 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.15 -46.43 84.12 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 119.225 0.921 . . . . 10.0 110.065 172.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -61.27 -43.49 98.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.236 0.471 . . . . 10.0 110.36 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -58.35 -48.66 79.87 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.401 0.68 . . . . 10.0 109.797 173.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.54 98.98 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.78 0.718 . . . . 10.0 111.461 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -61.48 -44.76 96.51 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.247 0.93 . . . . 10.0 110.492 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.51 -46.01 84.78 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.943 -0.392 . . . . 10.0 109.943 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.94 -48.03 81.14 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.914 0.886 . . . . 10.0 110.09 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -16.78 48.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.661 1.585 . . . . 10.0 112.848 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 m -110.9 -2.43 16.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.969 1.307 . . . . 10.0 111.667 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -76.66 -12.67 60.04 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.648 0.779 . . . . 10.0 112.66 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.02 161.65 29.17 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.307 1.443 . . . . 10.0 108.555 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.84 -14.11 38.22 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.562 2.174 . . . . 10.0 113.294 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.55 138.23 28.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 105.894 -1.891 . . . . 10.0 105.894 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.03 138.4 37.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.72 -1.215 . . . . 10.0 107.72 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.1 t -126.06 92.1 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 124.836 1.254 . . . . 10.0 107.788 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -67.71 125.98 27.94 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 104.856 -2.276 . . . . 10.0 104.856 169.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 p -153.96 -171.46 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.709 0.803 . . . . 10.0 110.795 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -133.75 169.78 16.53 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.374 1.069 . . . . 10.0 108.587 169.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 p -66.62 -20.52 66.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.361 1.865 . . . . 10.0 115.887 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -130.21 -21.41 2.93 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 115.573 1.694 . . . . 10.0 115.573 -168.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 m -60.13 129.63 42.7 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.639 1.108 . . . . 10.0 112.084 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.75 -34.84 71.91 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.601 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -65.6 -38.53 89.75 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.175 0.988 . . . . 10.0 111.89 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.7 m -65.98 -44.56 84.53 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 118.501 0.591 . . . . 10.0 109.431 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -55.38 -46.54 76.51 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 119.06 -0.495 . . . . 10.0 110.617 171.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -54.65 -48.84 71.82 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 119.34 0.973 . . . . 10.0 111.317 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.79 -46.99 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 119.019 0.827 . . . . 10.0 110.489 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -54.51 -49.87 69.17 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.315 0.507 . . . . 10.0 110.514 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -62.75 -41.53 99.25 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.482 0.713 . . . . 10.0 110.23 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.41 -50.37 73.88 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.235 1.014 . . . . 10.0 109.644 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.64 -39.35 88.21 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.971 0.908 . . . . 10.0 111.213 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -61.78 -44.2 97.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.081 0.552 . . . . 10.0 110.026 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -66.28 -36.95 84.29 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.294 0.497 . . . . 10.0 111.335 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.5 m -78.46 -7.79 10.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 118.377 0.535 . . . . 10.0 112.07 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.63 29.15 58.17 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.782 0.706 . . . . 10.0 112.014 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.54 145.27 41.41 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.127 0.964 . . . . 10.0 109.52 174.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.2 m -89.52 129.24 36.03 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.694 -1.965 . . . . 10.0 105.694 169.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -148.51 160.1 43.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.742 0.701 . . . . 10.0 111.204 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -111.86 156.42 22.05 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.339 1.856 . . . . 10.0 107.482 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.76 145.47 35.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 106.289 -1.745 . . . . 10.0 106.289 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.5 t -130.88 89.08 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 104.919 -2.252 . . . . 10.0 104.919 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -75.66 91.71 2.91 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 107.343 -1.354 . . . . 10.0 107.343 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.7 mt -56.14 -33.67 65.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.638 1.575 . . . . 10.0 112.034 -169.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -63.79 -26.5 68.66 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.858 0.754 . . . . 10.0 112.441 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -94.7 -19.16 20.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.051 0.94 . . . . 10.0 111.724 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -67.88 139.77 56.51 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.56 0.618 . . . . 10.0 109.958 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -60.0 -18.12 43.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.463 1.505 . . . . 10.0 114.302 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -132.59 23.55 4.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.735 1.214 . . . . 10.0 110.297 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -42.5 -52.33 5.33 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 126.836 2.16 . . . . 10.0 115.101 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 m -62.12 -41.86 98.66 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.225 1.013 . . . . 10.0 112.341 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -74.91 -34.04 62.09 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.534 -0.729 . . . . 10.0 110.03 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -45.35 94.2 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.512 0.725 . . . . 10.0 109.7 173.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -62.34 -40.77 97.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.407 -0.808 . . . . 10.0 110.295 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.8 m -61.69 -39.21 90.66 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.045 0.384 . . . . 10.0 110.668 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.11 94.38 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.424 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.49 -46.47 80.47 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.465 0.575 . . . . 10.0 110.275 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.45 73.81 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.409 0.549 . . . . 10.0 111.553 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.53 -43.03 89.06 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.246 1.018 . . . . 10.0 111.119 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -77.8 -40.59 40.15 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.312 1.045 . . . . 10.0 111.916 -170.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.9 p -107.76 -15.89 14.46 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -169.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.09 15.74 67.8 Favored Glycine 0 CA--C 1.536 1.368 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -169.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -143.25 64.54 1.35 Allowed 'General case' 0 C--N 1.343 0.296 0 C-N-CA 125.631 1.572 . . . . 10.0 107.704 -171.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.61 -6.37 49.47 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.243 -0.754 . . . . 10.0 114.064 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -62.62 169.71 2.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.321 1.448 . . . . 10.0 111.137 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.81 151.75 78.68 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 124.13 0.972 . . . . 10.0 109.433 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.35 155.83 91.95 Favored 'Cis proline' 0 N--CA 1.457 -0.64 0 C-N-CA 125.237 -0.734 . . . . 10.0 111.011 -10.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -125.66 123.36 38.78 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 104.014 -2.588 . . . . 10.0 104.014 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.1 141.64 31.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 C-N-CA 123.6 0.76 . . . . 10.0 110.208 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -126.81 144.97 50.8 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 126.223 1.809 . . . . 10.0 107.224 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.0 mt -138.63 138.48 42.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 105.488 -2.041 . . . . 10.0 105.488 174.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 57.46 29.46 60.68 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.892 0.758 . . . . 10.0 112.845 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.46 20.26 76.86 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 118.979 -0.9 . . . . 10.0 113.505 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -128.35 138.37 52.34 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.998 1.399 . . . . 10.0 108.097 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -70.52 138.88 51.38 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.5 mm -110.15 -47.57 6.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.62 -138.87 5.83 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 109.011 -1.636 . . . . 10.0 109.011 -171.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.88 -158.49 7.85 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.6 p -48.44 -55.31 11.23 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 125.17 1.388 . . . . 10.0 112.525 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.3 -38.2 85.98 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 119.713 -0.184 . . . . 10.0 111.192 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 m -62.26 -51.67 66.8 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.06 0.544 . . . . 10.0 110.305 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.27 -34.8 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-O 118.326 -0.845 . . . . 10.0 110.811 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.17 -43.85 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 119.729 1.149 . . . . 10.0 108.976 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.55 -48.43 77.49 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.952 0.796 . . . . 10.0 110.229 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -63.24 -32.73 74.21 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 118.526 -0.75 . . . . 10.0 110.613 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -67.02 -46.21 75.14 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 120.071 1.305 . . . . 10.0 110.044 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.44 -37.11 84.6 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.577 0.626 . . . . 10.0 111.286 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -75.5 1.29 14.54 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.789 0.835 . . . . 10.0 113.067 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 65.1 t30 48.87 39.27 13.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.096 1.759 . . . . 10.0 111.781 -173.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -106.36 -28.28 10.46 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.953 1.701 . . . . 10.0 109.887 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.12 -38.69 92.2 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 123.0 0.52 . . . . 10.0 110.333 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -55.91 37.56 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 117.177 -1.392 . . . . 10.0 111.312 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -47.7 -45.79 22.88 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.847 2.365 . . . . 10.0 113.597 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.47 -42.97 98.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.881 0.472 . . . . 10.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.2 mt -66.5 -39.92 88.96 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 118.638 -0.696 . . . . 10.0 111.187 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -66.52 -38.18 86.63 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 119.024 0.829 . . . . 10.0 110.186 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.58 -37.45 86.68 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.851 0.461 . . . . 10.0 111.387 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.34 -3.7 28.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.807 0.843 . . . . 10.0 112.693 170.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.07 26.14 1.97 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.984 2.114 . . . . 10.0 112.869 -169.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.66 69.29 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.045 0.938 . . . . 10.0 110.603 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 p -83.5 111.55 19.17 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.348 -1.353 . . . . 10.0 107.348 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.87 -5.72 9.97 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.482 0.919 . . . . 10.0 113.482 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -49.49 -39.31 33.41 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.997 1.319 . . . . 10.0 112.293 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -145.68 94.76 5.04 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.64 2.65 6.71 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.037 2.491 . . . . 10.0 113.355 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -119.22 19.96 12.72 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.431 1.092 . . . . 10.0 112.561 -169.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 70.9 155.44 0.14 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.364 2.265 . . . . 10.0 111.997 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.137 0 N-CA-C 107.729 -1.211 . . . . 10.0 107.729 177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.297 11.2 ptm . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 117.261 -1.352 . . . . 10.0 112.246 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 138.18 -17.57 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 130.575 3.55 . . . . 10.0 110.818 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 m -56.54 -24.86 49.7 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.487 1.662 . . . . 10.0 115.487 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -64.26 -49.36 72.17 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 121.769 2.077 . . . . 10.0 110.058 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -67.79 -40.18 83.98 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 119.22 -0.419 . . . . 10.0 109.95 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -72.82 -31.26 64.67 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.182 0.901 . . . . 10.0 111.132 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.31 -40.71 86.03 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 119.133 0.879 . . . . 10.0 109.369 172.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.89 -38.81 89.73 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.723 0.692 . . . . 10.0 111.714 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.28 -42.36 88.51 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.467 -0.77 . . . . 10.0 110.515 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.17 77.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.794 0.838 . . . . 10.0 111.032 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.15 -46.43 84.12 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 119.225 0.921 . . . . 10.0 110.065 172.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -61.27 -43.49 98.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.236 0.471 . . . . 10.0 110.36 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -58.35 -48.66 79.87 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.401 0.68 . . . . 10.0 109.797 173.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.54 98.98 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 118.78 0.718 . . . . 10.0 111.461 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -61.48 -44.76 96.51 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.247 0.93 . . . . 10.0 110.492 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.51 -46.01 84.78 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 109.943 -0.392 . . . . 10.0 109.943 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.94 -48.03 81.14 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.914 0.886 . . . . 10.0 110.09 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -16.78 48.51 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.661 1.585 . . . . 10.0 112.848 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 m -110.9 -2.43 16.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.969 1.307 . . . . 10.0 111.667 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -76.66 -12.67 60.04 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.648 0.779 . . . . 10.0 112.66 -176.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.02 161.65 29.17 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 125.307 1.443 . . . . 10.0 108.555 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.84 -14.11 38.22 Favored 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 122.562 2.174 . . . . 10.0 113.294 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -142.55 138.23 28.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 105.894 -1.891 . . . . 10.0 105.894 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.7 t -140.03 138.4 37.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.72 -1.215 . . . . 10.0 107.72 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.1 t -126.06 92.1 1.95 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 124.836 1.254 . . . . 10.0 107.788 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -67.71 125.98 27.94 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 104.856 -2.276 . . . . 10.0 104.856 169.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 p -153.96 -171.46 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.709 0.803 . . . . 10.0 110.795 -168.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -133.75 169.78 16.53 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.374 1.069 . . . . 10.0 108.587 169.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 p -66.62 -20.52 66.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.361 1.865 . . . . 10.0 115.887 -169.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -130.21 -21.41 2.93 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 115.573 1.694 . . . . 10.0 115.573 -168.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.1 m -60.13 129.63 42.7 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 119.639 1.108 . . . . 10.0 112.084 -169.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.75 -34.84 71.91 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.601 176.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -65.6 -38.53 89.75 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.175 0.988 . . . . 10.0 111.89 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.7 m -65.98 -44.56 84.53 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 118.501 0.591 . . . . 10.0 109.431 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -55.38 -46.54 76.51 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 119.06 -0.495 . . . . 10.0 110.617 171.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -54.65 -48.84 71.82 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 119.34 0.973 . . . . 10.0 111.317 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.79 -46.99 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 119.019 0.827 . . . . 10.0 110.489 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -54.51 -49.87 69.17 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.315 0.507 . . . . 10.0 110.514 176.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -62.75 -41.53 99.25 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.482 0.713 . . . . 10.0 110.23 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.41 -50.37 73.88 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.235 1.014 . . . . 10.0 109.644 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.0 mt -66.64 -39.35 88.21 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.971 0.908 . . . . 10.0 111.213 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -61.78 -44.2 97.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.081 0.552 . . . . 10.0 110.026 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -66.28 -36.95 84.29 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.294 0.497 . . . . 10.0 111.335 -174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.5 m -78.46 -7.79 10.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 118.377 0.535 . . . . 10.0 112.07 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.63 29.15 58.17 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.782 0.706 . . . . 10.0 112.014 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.54 145.27 41.41 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.127 0.964 . . . . 10.0 109.52 174.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.2 m -89.52 129.24 36.03 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 105.694 -1.965 . . . . 10.0 105.694 169.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -148.51 160.1 43.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 118.742 0.701 . . . . 10.0 111.204 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -111.86 156.42 22.05 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.339 1.856 . . . . 10.0 107.482 173.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.76 145.47 35.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 106.289 -1.745 . . . . 10.0 106.289 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.5 t -130.88 89.08 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 104.919 -2.252 . . . . 10.0 104.919 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -75.66 91.71 2.91 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 107.343 -1.354 . . . . 10.0 107.343 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 74.7 mt -56.14 -33.67 65.39 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.638 1.575 . . . . 10.0 112.034 -169.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -63.79 -26.5 68.66 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.858 0.754 . . . . 10.0 112.441 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -94.7 -19.16 20.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.051 0.94 . . . . 10.0 111.724 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -67.88 139.77 56.51 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.56 0.618 . . . . 10.0 109.958 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -60.0 -18.12 43.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.463 1.505 . . . . 10.0 114.302 -175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -132.59 23.55 4.35 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.735 1.214 . . . . 10.0 110.297 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -42.5 -52.33 5.33 Favored Glycine 0 C--N 1.339 0.727 0 C-N-CA 126.836 2.16 . . . . 10.0 115.101 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.3 m -62.12 -41.86 98.66 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.225 1.013 . . . . 10.0 112.341 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -74.91 -34.04 62.09 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.534 -0.729 . . . . 10.0 110.03 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -45.35 94.2 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.512 0.725 . . . . 10.0 109.7 173.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -62.34 -40.77 97.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.407 -0.808 . . . . 10.0 110.295 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.8 m -61.69 -39.21 90.66 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.045 0.384 . . . . 10.0 110.668 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.11 94.38 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.424 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -56.49 -46.47 80.47 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 118.465 0.575 . . . . 10.0 110.275 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.64 -50.45 73.81 Favored 'General case' 0 C--N 1.338 0.097 0 CA-C-N 118.409 0.549 . . . . 10.0 111.553 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -58.53 -43.03 89.06 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.246 1.018 . . . . 10.0 111.119 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -77.8 -40.59 40.15 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.312 1.045 . . . . 10.0 111.916 -170.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.9 p -107.76 -15.89 14.46 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.666 0.617 . . . . 10.0 112.666 -169.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.09 15.74 67.8 Favored Glycine 0 CA--C 1.536 1.368 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -169.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -143.25 64.54 1.35 Allowed 'General case' 0 C--N 1.343 0.296 0 C-N-CA 125.631 1.572 . . . . 10.0 107.704 -171.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -68.61 -6.37 49.47 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 119.243 -0.754 . . . . 10.0 114.064 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -62.62 169.71 2.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.321 1.448 . . . . 10.0 111.137 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.5 m -129.81 151.75 78.68 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 124.13 0.972 . . . . 10.0 109.433 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.35 155.83 91.95 Favored 'Cis proline' 0 N--CA 1.457 -0.64 0 C-N-CA 125.237 -0.734 . . . . 10.0 111.011 -10.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -125.66 123.36 38.78 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 104.014 -2.588 . . . . 10.0 104.014 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.1 141.64 31.08 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 C-N-CA 123.6 0.76 . . . . 10.0 110.208 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -126.81 144.97 50.8 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 126.223 1.809 . . . . 10.0 107.224 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.0 mt -138.63 138.48 42.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 105.488 -2.041 . . . . 10.0 105.488 174.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 57.46 29.46 60.68 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 123.892 0.758 . . . . 10.0 112.845 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.46 20.26 76.86 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-O 118.979 -0.9 . . . . 10.0 113.505 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -128.35 138.37 52.34 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 118.998 1.399 . . . . 10.0 108.097 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.1 tm0? -70.52 138.88 51.38 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.5 mm -110.15 -47.57 6.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.62 -138.87 5.83 Favored Glycine 0 C--N 1.336 0.542 0 N-CA-C 109.011 -1.636 . . . . 10.0 109.011 -171.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -137.88 -158.49 7.85 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 109.974 -1.25 . . . . 10.0 109.974 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.6 p -48.44 -55.31 11.23 Favored 'General case' 0 CA--C 1.527 0.077 0 C-N-CA 125.17 1.388 . . . . 10.0 112.525 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.3 -38.2 85.98 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-O 119.713 -0.184 . . . . 10.0 111.192 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 m -62.26 -51.67 66.8 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.06 0.544 . . . . 10.0 110.305 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.8 m -70.27 -34.8 60.08 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-O 118.326 -0.845 . . . . 10.0 110.811 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.17 -43.85 97.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 119.729 1.149 . . . . 10.0 108.976 176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.55 -48.43 77.49 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.952 0.796 . . . . 10.0 110.229 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -63.24 -32.73 74.21 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 118.526 -0.75 . . . . 10.0 110.613 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -67.02 -46.21 75.14 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 120.071 1.305 . . . . 10.0 110.044 174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.44 -37.11 84.6 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.577 0.626 . . . . 10.0 111.286 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -75.5 1.29 14.54 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.789 0.835 . . . . 10.0 113.067 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 65.1 t30 48.87 39.27 13.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.096 1.759 . . . . 10.0 111.781 -173.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -106.36 -28.28 10.46 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.953 1.701 . . . . 10.0 109.887 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.12 -38.69 92.2 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 123.0 0.52 . . . . 10.0 110.333 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -55.91 37.56 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-O 117.177 -1.392 . . . . 10.0 111.312 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -47.7 -45.79 22.88 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.847 2.365 . . . . 10.0 113.597 172.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.47 -42.97 98.59 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 122.881 0.472 . . . . 10.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.2 mt -66.5 -39.92 88.96 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 118.638 -0.696 . . . . 10.0 111.187 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -66.52 -38.18 86.63 Favored 'General case' 0 C--N 1.339 0.125 0 CA-C-N 119.024 0.829 . . . . 10.0 110.186 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.58 -37.45 86.68 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.851 0.461 . . . . 10.0 111.387 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.34 -3.7 28.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.807 0.843 . . . . 10.0 112.693 170.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.07 26.14 1.97 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.984 2.114 . . . . 10.0 112.869 -169.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.66 69.29 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.045 0.938 . . . . 10.0 110.603 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 p -83.5 111.55 19.17 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.348 -1.353 . . . . 10.0 107.348 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.87 -5.72 9.97 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.482 0.919 . . . . 10.0 113.482 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -49.49 -39.31 33.41 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.997 1.319 . . . . 10.0 112.293 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.2 t30 -145.68 94.76 5.04 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.64 2.65 6.71 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.037 2.491 . . . . 10.0 113.355 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -119.22 19.96 12.72 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.431 1.092 . . . . 10.0 112.561 -169.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 70.9 155.44 0.14 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 127.364 2.265 . . . . 10.0 111.997 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.137 0 N-CA-C 107.729 -1.211 . . . . 10.0 107.729 177.671 . . . . . . . . 1 1 . 1 stop_ save_