data_1sfv_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 1sfv _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 122.585 1.183 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -93.55 -60.56 1.74 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.597 -174.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 17.4 p90 -52.72 -32.58 43.73 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-N 121.49 1.95 . . . . 0.0 115.693 169.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -83.87 -34.33 24.63 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 116.719 -1.61 . . . . 0.0 113.228 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . 0.315 0.0 OUTLIER -73.57 -30.56 63.11 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 120.471 1.487 . . . . 0.0 113.353 165.364 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -37.17 62.89 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 118.157 2.651 . . . . 0.0 118.157 173.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 t -68.13 -28.1 67.03 Favored 'General case' 0 N--CA 1.527 3.39 0 N-CA-C 118.238 2.681 . . . . 0.0 118.238 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -91.24 -28.93 17.49 Favored 'General case' 0 C--N 1.289 -2.034 1 C-N-CA 132.097 4.159 . . . . 0.0 111.056 172.482 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 mm -61.11 -45.75 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.692 0 CA-C-N 122.044 2.202 . . . . 0.0 110.66 165.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . 0.271 0.0 OUTLIER -70.01 -3.65 17.27 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 169.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 t -91.47 -47.29 7.52 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 124.368 1.067 . . . . 0.0 109.552 160.46 -176.762 -126.659 -76.239 108.174 1.999 108.204 -147.605 178.612 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.73 -43.31 1.38 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 164.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.317 2.5 mp -99.95 124.94 41.87 Favored Pre-proline 0 CA--C 1.563 1.463 1 N-CA-C 99.25 -4.352 . . . . 0.0 99.25 169.628 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -42.33 -54.35 3.14 Favored 'Trans proline' 1 N--CA 1.544 4.487 0 C-N-CA 123.499 2.8 . . . . 0.0 111.452 171.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.03 178.63 49.28 Favored Glycine 0 N--CA 1.474 1.229 0 N-CA-C 121.491 3.356 . . . . 0.0 121.491 123.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -157.4 -91.96 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 117.996 -1.002 . . . . 0.0 112.149 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.11 121.06 84.26 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 173.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -63.81 -47.86 6.29 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 122.059 1.84 . . . . 0.0 114.834 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.16 -116.98 0.0 OUTLIER 'General case' 0 C--N 1.351 0.66 0 CA-C-O 115.401 -2.238 . . . . 0.0 110.806 162.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . 0.316 15.9 mtm 4.31 -28.09 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.246 3 C-N-CA 135.536 5.534 . . . . 0.0 122.885 -171.625 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -56.46 -4.44 0.15 Allowed 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 112.512 -2.131 . . . . 0.0 116.522 134.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -139.66 -46.29 0.45 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 116.219 -1.848 . . . . 0.0 109.157 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -38.17 -44.06 0.82 Allowed 'General case' 0 N--CA 1.523 3.214 0 N-CA-C 117.36 2.356 . . . . 0.0 117.36 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -124.14 97.4 5.32 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 111.206 -2.724 . . . . 0.0 104.181 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -168.69 107.44 0.47 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.38 -91.42 1.15 Allowed Glycine 0 CA--C 1.533 1.173 0 CA-C-O 125.012 2.451 . . . . 0.0 113.52 -172.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -121.04 -38.61 2.8 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 108.655 -3.772 . . . . 0.0 115.099 174.61 -29.712 -132.276 55.045 105.689 1.973 103.259 128.23 -96.067 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.15 -28.29 0.06 Allowed 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 120.689 3.589 . . . . 0.0 120.689 -163.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . 0.328 0.1 OUTLIER -10.85 111.57 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 119.788 3.255 . . . . 0.0 119.788 -157.785 -128.54 -28.575 84.728 110.924 1.994 110.214 147.482 -59.022 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.39 -62.83 4.52 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-O 117.567 -1.685 . . . . 0.0 114.005 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.513 3.9 tp -102.63 -82.33 0.49 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 119.639 1.719 . . . . 0.0 109.3 -173.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.6 -152.6 1.74 Allowed Glycine 0 CA--C 1.541 1.691 0 CA-C-N 110.425 -3.08 . . . . 0.0 117.878 -150.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 47.08 -164.61 0.14 Allowed Glycine 0 N--CA 1.486 1.988 0 N-CA-C 121.075 3.19 . . . . 0.0 121.075 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.4 t -165.55 147.2 7.35 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.281 0.632 . . . . 0.0 111.821 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.42 -111.61 1.9 Allowed Glycine 0 N--CA 1.475 1.265 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.814 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.85 166.98 22.2 Favored Pre-proline 0 CA--C 1.585 2.321 0 C-N-CA 124.57 1.148 . . . . 0.0 109.564 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -88.88 -154.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.961 0 C-N-CA 123.536 2.824 . . . . 0.0 114.03 -170.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 m -131.89 -59.06 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.113 0 C-N-CA 124.438 1.095 . . . . 0.0 110.828 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.66 162.59 18.73 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 113.075 -1.875 . . . . 0.0 113.136 -174.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -51.47 -45.88 62.92 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 120.381 -0.527 . . . . 0.0 111.464 158.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.309 0.3 OUTLIER -56.44 -43.07 79.13 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 173.348 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.87 -20.28 65.11 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 169.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.6 mmm-85 -64.64 -42.91 95.13 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 120.507 1.503 . . . . 0.0 113.782 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.07 -13.1 44.97 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 116.653 -1.642 . . . . 0.0 114.329 170.38 -54.501 -159.214 -53.02 105.219 1.994 104.548 -140.161 -72.492 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' SG ' ' CZ ' ' A' ' 106' ' ' PHE . 78.7 m -86.83 -30.6 21.36 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 116.216 -1.85 . . . . 0.0 114.137 163.661 -59.022 147.482 84.728 110.214 1.994 110.924 -28.575 -128.54 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.26 -41.28 83.94 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 122.291 2.314 . . . . 0.0 111.393 166.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.3 m -91.63 -16.63 26.76 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 116.412 -1.756 . . . . 0.0 115.15 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -86.77 70.57 10.38 Favored 'General case' 0 N--CA 1.508 2.457 0 CA-C-N 123.072 2.669 . . . . 0.0 106.583 161.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 165.58 -60.73 0.0 OUTLIER 'General case' 0 CA--C 1.591 2.523 0 N-CA-C 100.744 -3.798 . . . . 0.0 100.744 -162.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.299 57.3 m-20 -75.52 -38.53 59.35 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.2 p -95.68 13.77 25.28 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 116.624 -1.655 . . . . 0.0 113.191 157.141 69.805 120.312 -107.95 107.848 1.995 111.165 -142.374 -84.344 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -92.17 -46.02 7.96 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.662 2.028 . . . . 0.0 110.252 175.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -45.07 -48.67 11.85 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 171.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.38 -3.34 17.01 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 118.999 2.963 . . . . 0.0 118.999 -154.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.44 4.9 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.861 2.065 . . . . 0.0 116.207 154.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.336 0.0 OUTLIER -58.34 -44.65 88.82 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 169.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -81.34 -40.61 23.32 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 113.362 -1.744 . . . . 0.0 114.747 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.345 12.5 tp -5.8 139.7 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 121.504 3.89 . . . . 0.0 121.504 -176.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.322 4.3 m-20 -53.94 -31.73 51.38 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-N 111.11 -2.768 . . . . 0.0 113.4 167.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 t -107.76 -26.69 10.68 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.977 1.423 . . . . 0.0 110.867 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.13 105.34 6.63 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 123.889 0.743 . . . . 0.0 111.608 -175.674 -102.945 88.631 96.985 109.804 2.018 109.373 -71.892 -72.372 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -144.07 92.47 2.33 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.396 2.5 p90 -150.48 -125.04 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.4 mp -92.14 -62.28 1.44 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -174.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.5 m -87.38 -52.48 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -143.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -71.53 100.36 2.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.137 0.975 . . . . 0.0 113.102 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -116.08 -80.93 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.269 0 CA-C-O 114.642 -2.599 . . . . 0.0 108.528 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -83.81 -52.05 0.04 OUTLIER 'Trans proline' 0 N--CA 1.496 1.621 0 CA-C-N 126.027 3.188 . . . . 0.0 117.735 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -138.14 110.71 7.54 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 103.911 -2.625 . . . . 0.0 103.911 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.338 0.2 OUTLIER -175.19 -46.67 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 120.608 3.559 . . . . 0.0 120.608 167.223 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -53.16 -61.82 2.05 Favored 'General case' 0 N--CA 1.498 1.964 1 N-CA-C 122.388 4.218 . . . . 0.0 122.388 -156.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -92.08 -172.12 3.05 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -157.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.403 ' CE2' ' SD ' ' A' ' 8' ' ' MET 0.346 26.7 m-85 113.44 134.09 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.736 2.814 . . . . 0.0 117.437 159.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.9 t -176.23 82.73 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.419 0 CA-C-N 111.338 -2.664 . . . . 0.0 104.722 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.579 ' CD2' ' SD ' ' A' ' 8' ' ' MET 0.313 26.7 p90 -119.78 -137.64 0.34 Allowed 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -154.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.393 3.5 m -171.06 -179.25 2.68 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 126.949 2.1 . . . . 0.0 110.404 -161.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.3 t -168.68 147.48 4.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.213 -1.555 . . . . 0.0 108.161 140.699 178.612 -147.605 -76.239 108.204 1.999 108.174 -126.659 -176.762 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . 0.276 68.8 m -103.94 -128.08 0.24 Allowed 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 112.646 -2.07 . . . . 0.0 108.278 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -40.06 -44.0 1.69 Allowed 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 116.79 2.145 . . . . 0.0 116.79 161.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.8 p -174.98 -30.86 0.01 OUTLIER 'General case' 0 CA--C 1.605 3.074 0 C-N-CA 130.081 3.352 . . . . 0.0 108.559 -165.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.24 142.85 30.2 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.785 1.634 . . . . 0.0 113.825 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . 0.379 2.7 mp -114.76 -115.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-N 113.582 -1.645 . . . . 0.0 108.496 -161.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . 0.276 15.2 t -173.74 -101.34 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 115.019 -2.42 . . . . 0.0 105.469 -175.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 85' ' ' ASN 0.411 1.4 p 177.24 -69.31 0.01 OUTLIER 'General case' 0 C--N 1.362 1.123 0 CA-C-N 122.25 2.295 . . . . 0.0 108.734 161.287 87.423 162.193 -68.771 107.108 1.979 107.368 138.35 122.013 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.45 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -136.61 175.88 9.21 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.695 1.198 . . . . 0.0 111.885 -173.292 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.1 p -145.87 58.57 1.24 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.011 0.434 . . . . 0.0 110.162 169.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.303 0.0 OUTLIER -160.05 -62.01 0.07 Allowed 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 117.775 -1.107 . . . . 0.0 112.287 -175.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . 0.358 5.6 p-10 55.77 127.28 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 120.854 3.65 . . . . 0.0 120.854 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -129.25 -123.13 0.22 Allowed 'General case' 0 CA--C 1.578 2.051 1 N-CA-C 98.284 -4.71 . . . . 0.0 98.284 148.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -103.86 -44.81 4.94 Favored 'General case' 0 CA--C 1.56 1.359 0 O-C-N 120.94 -1.1 . . . . 0.0 109.035 152.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 67.2 m -16.16 -61.47 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 118.872 2.915 . . . . 0.0 118.872 168.771 -72.372 -71.892 96.985 109.373 2.018 109.804 88.631 -102.945 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -60.25 2.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 117.061 -1.447 . . . . 0.0 110.592 169.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.68 72.35 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 -171.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -43.34 93.24 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 118.892 0.769 . . . . 0.0 110.722 170.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.32 -45.47 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.416 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.451 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -38.05 39.46 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 168.14 122.013 138.35 -68.771 107.368 1.979 107.108 162.193 87.423 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.03 -43.62 91.79 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . 0.253 8.1 m -67.92 -38.8 83.37 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 116.468 -1.73 . . . . 0.0 113.573 167.878 -84.344 -142.374 -107.95 111.165 1.995 107.848 120.312 69.805 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -57.11 -62.76 1.53 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 121.42 1.918 . . . . 0.0 112.967 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -60.35 -41.47 93.7 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 115.233 -2.318 . . . . 0.0 116.457 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -69.18 -16.23 63.58 Favored 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 123.355 2.798 . . . . 0.0 113.097 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.46 -31.93 48.17 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 113.347 -3.216 . . . . 0.0 112.361 159.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.6 -16.59 57.26 Favored 'General case' 0 N--CA 1.525 3.296 1 CA-C-N 126.286 4.13 . . . . 0.0 118.101 167.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . 0.32 0.7 OUTLIER -91.84 -40.19 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 C-N-CA 131.684 3.993 . . . . 0.0 113.484 176.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 66.8 m -65.98 -45.91 79.97 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 120.308 -1.495 . . . . 0.0 110.027 162.13 -72.492 -140.161 -53.02 104.548 1.994 105.219 -159.214 -54.501 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.441 ' CZ ' ' SG ' ' A' ' 45' ' ' CYS . 16.1 m-30 -78.35 -34.26 48.57 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -171.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t -68.8 -31.35 70.29 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 -73.49 0.4 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 114.616 -2.612 . . . . 0.0 112.172 -155.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 30.77 -166.75 0.0 OUTLIER Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 118.062 2.616 . . . . 0.0 118.062 -171.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -85.96 69.92 4.75 Favored 'Trans proline' 0 N--CA 1.524 3.303 0 C-N-CA 123.635 2.89 . . . . 0.0 109.201 153.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . 0.309 1.2 t80 -63.19 158.54 19.72 Favored 'General case' 0 CA--C 1.568 1.669 0 CA-C-N 108.858 -3.792 . . . . 0.0 115.125 -167.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -157.15 111.75 2.73 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 163.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 62.89 1.34 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 126.833 3.206 . . . . 0.0 118.023 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.41 0.0 OUTLIER -152.77 -57.67 0.13 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 110.304 -3.135 . . . . 0.0 105.531 -136.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -91.16 64.96 5.39 Favored 'General case' 0 CA--C 1.574 1.877 0 CA-C-O 124.114 1.911 . . . . 0.0 107.898 161.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . 0.362 1.9 tptt -88.57 154.76 20.08 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 118.811 -2.43 . . . . 0.0 104.975 161.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . 0.299 3.7 t-20 93.6 -46.62 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.398 154.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . 0.464 10.0 mp 25.86 -151.07 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 127.218 2.824 . . . . 0.0 117.338 170.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -170.35 -44.5 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -154.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . 0.484 1.4 p 90.31 60.2 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 166.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -151.98 -69.48 0.16 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 -170.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . 0.463 35.1 mttt -60.53 -53.09 61.71 Favored 'General case' 0 CA--C 1.601 2.918 0 C-N-CA 127.847 2.459 . . . . 0.0 112.526 154.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . 0.513 22.2 m-30 -76.83 -34.14 57.9 Favored 'General case' 0 C--N 1.323 -0.581 1 C-N-CA 133.121 4.568 . . . . 0.0 115.024 -174.898 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . 0.372 1.3 m . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 122.574 1.178 . . . . 0.0 111.566 177.684 -96.067 128.23 55.045 103.259 1.973 105.689 -132.276 -29.712 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 122.585 1.183 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' CG ' ' A' ' 69' ' ' TYR . 1.8 tm? -93.55 -60.56 1.74 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.597 -174.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 17.4 p90 -52.72 -32.58 43.73 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-N 121.49 1.95 . . . . 0.0 115.693 169.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -83.87 -34.33 24.63 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 116.719 -1.61 . . . . 0.0 113.228 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 9' ' ' ILE 0.315 0.0 OUTLIER -73.57 -30.56 63.11 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 120.471 1.487 . . . . 0.0 113.353 165.364 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.503 HH21 HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -53.66 -37.17 62.89 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 118.157 2.651 . . . . 0.0 118.157 173.126 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 t -68.13 -28.1 67.03 Favored 'General case' 0 N--CA 1.527 3.39 0 N-CA-C 118.238 2.681 . . . . 0.0 118.238 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -91.24 -28.93 17.49 Favored 'General case' 0 C--N 1.289 -2.034 1 C-N-CA 132.097 4.159 . . . . 0.0 111.056 172.482 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.595 HD11 ' CE2' ' A' ' 5' ' ' PHE . 1.5 mm -61.11 -45.75 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.692 0 CA-C-N 122.044 2.202 . . . . 0.0 110.66 165.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . 0.271 0.0 OUTLIER -70.01 -3.65 17.27 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 169.661 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 t -91.47 -47.29 7.52 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 124.368 1.067 . . . . 0.0 109.552 160.46 -176.762 -126.659 -76.239 108.174 1.999 108.204 -147.605 178.612 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' A' ' 107' ' ' SER . . . -39.73 -43.31 1.38 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 164.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.664 HG22 ' CA ' ' A' ' 15' ' ' GLY 0.317 2.5 mp -99.95 124.94 41.87 Favored Pre-proline 0 CA--C 1.563 1.463 1 N-CA-C 99.25 -4.352 . . . . 0.0 99.25 169.628 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -42.33 -54.35 3.14 Favored 'Trans proline' 1 N--CA 1.544 4.487 0 C-N-CA 123.499 2.8 . . . . 0.0 111.452 171.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.664 ' CA ' HG22 ' A' ' 13' ' ' ILE . . . 78.03 178.63 49.28 Favored Glycine 0 N--CA 1.474 1.229 0 N-CA-C 121.491 3.356 . . . . 0.0 121.491 123.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -157.4 -91.96 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 117.996 -1.002 . . . . 0.0 112.149 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.11 121.06 84.26 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 173.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HB2' ' HE ' ' A' ' 6' ' ' ARG . 10.6 Cg_endo -63.81 -47.86 6.29 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 122.059 1.84 . . . . 0.0 114.834 175.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 31' ' ' LEU . 2.9 mt -72.16 -116.98 0.0 OUTLIER 'General case' 0 C--N 1.351 0.66 0 CA-C-O 115.401 -2.238 . . . . 0.0 110.806 162.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.451 ' H ' ' HB3' ' A' ' 19' ' ' LEU 0.316 15.9 mtm 4.31 -28.09 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.246 3 C-N-CA 135.536 5.534 . . . . 0.0 122.885 -171.625 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -56.46 -4.44 0.15 Allowed 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 112.512 -2.131 . . . . 0.0 116.522 134.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -139.66 -46.29 0.45 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 116.219 -1.848 . . . . 0.0 109.157 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -38.17 -44.06 0.82 Allowed 'General case' 0 N--CA 1.523 3.214 0 N-CA-C 117.36 2.356 . . . . 0.0 117.36 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -124.14 97.4 5.32 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 111.206 -2.724 . . . . 0.0 104.181 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -168.69 107.44 0.47 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.857 ' HA2' HD22 ' A' ' 118' ' ' LEU . . . 78.38 -91.42 1.15 Allowed Glycine 0 CA--C 1.533 1.173 0 CA-C-O 125.012 2.451 . . . . 0.0 113.52 -172.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -121.04 -38.61 2.8 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 108.655 -3.772 . . . . 0.0 115.099 174.61 -29.712 -132.276 55.045 105.689 1.973 103.259 128.23 -96.067 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.15 -28.29 0.06 Allowed 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 120.689 3.589 . . . . 0.0 120.689 -163.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 42' ' ' ASP 0.328 0.1 OUTLIER -10.85 111.57 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 119.788 3.255 . . . . 0.0 119.788 -157.785 -128.54 -28.575 84.728 110.924 1.994 110.214 147.482 -59.022 4 4 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.39 -62.83 4.52 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-O 117.567 -1.685 . . . . 0.0 114.005 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' A' ' 19' ' ' LEU 0.513 3.9 tp -102.63 -82.33 0.49 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 119.639 1.719 . . . . 0.0 109.3 -173.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.6 -152.6 1.74 Allowed Glycine 0 CA--C 1.541 1.691 0 CA-C-N 110.425 -3.08 . . . . 0.0 117.878 -150.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 47.08 -164.61 0.14 Allowed Glycine 0 N--CA 1.486 1.988 0 N-CA-C 121.075 3.19 . . . . 0.0 121.075 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.4 t -165.55 147.2 7.35 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.281 0.632 . . . . 0.0 111.821 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.42 -111.61 1.9 Allowed Glycine 0 N--CA 1.475 1.265 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.814 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.85 166.98 22.2 Favored Pre-proline 0 CA--C 1.585 2.321 0 C-N-CA 124.57 1.148 . . . . 0.0 109.564 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -88.88 -154.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.961 0 C-N-CA 123.536 2.824 . . . . 0.0 114.03 -170.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 m -131.89 -59.06 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.113 0 C-N-CA 124.438 1.095 . . . . 0.0 110.828 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.66 162.59 18.73 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 113.075 -1.875 . . . . 0.0 113.136 -174.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HG2' ' HD2' ' A' ' 110' ' ' PRO . 2.9 tp10 -51.47 -45.88 62.92 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 120.381 -0.527 . . . . 0.0 111.464 158.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.309 0.3 OUTLIER -56.44 -43.07 79.13 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 173.348 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' HA ' ' SG ' ' A' ' 29' ' ' CYS . 8.4 m-20 -67.87 -20.28 65.11 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 169.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.6 mmm-85 -64.64 -42.91 95.13 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 120.507 1.503 . . . . 0.0 113.782 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.07 -13.1 44.97 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 116.653 -1.642 . . . . 0.0 114.329 170.38 -54.501 -159.214 -53.02 105.219 1.994 104.548 -140.161 -72.492 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' SG ' ' CZ ' ' A' ' 106' ' ' PHE . 78.7 m -86.83 -30.6 21.36 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 116.216 -1.85 . . . . 0.0 114.137 163.661 -59.022 147.482 84.728 110.214 1.994 110.924 -28.575 -128.54 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.26 -41.28 83.94 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 122.291 2.314 . . . . 0.0 111.393 166.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.3 m -91.63 -16.63 26.76 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 116.412 -1.756 . . . . 0.0 115.15 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -86.77 70.57 10.38 Favored 'General case' 0 N--CA 1.508 2.457 0 CA-C-N 123.072 2.669 . . . . 0.0 106.583 161.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 165.58 -60.73 0.0 OUTLIER 'General case' 0 CA--C 1.591 2.523 0 N-CA-C 100.744 -3.798 . . . . 0.0 100.744 -162.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.299 57.3 m-20 -75.52 -38.53 59.35 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.2 p -95.68 13.77 25.28 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 116.624 -1.655 . . . . 0.0 113.191 157.141 69.805 120.312 -107.95 107.848 1.995 111.165 -142.374 -84.344 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -92.17 -46.02 7.96 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.662 2.028 . . . . 0.0 110.252 175.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -45.07 -48.67 11.85 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 171.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.38 -3.34 17.01 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 118.999 2.963 . . . . 0.0 118.999 -154.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.623 ' CB ' HD11 ' A' ' 95' ' ' ILE . . . -45.34 -37.44 4.9 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.861 2.065 . . . . 0.0 116.207 154.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.336 0.0 OUTLIER -58.34 -44.65 88.82 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 169.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -81.34 -40.61 23.32 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 113.362 -1.744 . . . . 0.0 114.747 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' A' ' 55' ' ' ALA 0.345 12.5 tp -5.8 139.7 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 121.504 3.89 . . . . 0.0 121.504 -176.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.322 4.3 m-20 -53.94 -31.73 51.38 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-N 111.11 -2.768 . . . . 0.0 113.4 167.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 90' ' ' ALA . 2.4 t -107.76 -26.69 10.68 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.977 1.423 . . . . 0.0 110.867 -175.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.543 ' HB2' HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -134.13 105.34 6.63 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 123.889 0.743 . . . . 0.0 111.608 -175.674 -102.945 88.631 96.985 109.804 2.018 109.373 -71.892 -72.372 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -144.07 92.47 2.33 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.396 2.5 p90 -150.48 -125.04 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.4 mp -92.14 -62.28 1.44 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -174.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.5 m -87.38 -52.48 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -143.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -71.53 100.36 2.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.137 0.975 . . . . 0.0 113.102 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -116.08 -80.93 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.269 0 CA-C-O 114.642 -2.599 . . . . 0.0 108.528 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -83.81 -52.05 0.04 OUTLIER 'Trans proline' 0 N--CA 1.496 1.621 0 CA-C-N 126.027 3.188 . . . . 0.0 117.735 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CG ' ' HG ' ' A' ' 2' ' ' LEU . 12.9 m-30 -138.14 110.71 7.54 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 103.911 -2.625 . . . . 0.0 103.911 -168.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.338 0.2 OUTLIER -175.19 -46.67 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 120.608 3.559 . . . . 0.0 120.608 167.223 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -53.16 -61.82 2.05 Favored 'General case' 0 N--CA 1.498 1.964 1 N-CA-C 122.388 4.218 . . . . 0.0 122.388 -156.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -92.08 -172.12 3.05 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -157.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.457 ' CE2' ' HE1' ' A' ' 8' ' ' MET 0.346 26.7 m-85 113.44 134.09 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.736 2.814 . . . . 0.0 117.437 159.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.9 t -176.23 82.73 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.419 0 CA-C-N 111.338 -2.664 . . . . 0.0 104.722 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.579 ' CD2' ' SD ' ' A' ' 8' ' ' MET 0.313 26.7 p90 -119.78 -137.64 0.34 Allowed 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -154.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.428 ' HB2' HG22 ' A' ' 83' ' ' THR 0.393 3.5 m -171.06 -179.25 2.68 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 126.949 2.1 . . . . 0.0 110.404 -161.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.3 t -168.68 147.48 4.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.213 -1.555 . . . . 0.0 108.161 140.699 178.612 -147.605 -76.239 108.204 1.999 108.174 -126.659 -176.762 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . 0.276 68.8 m -103.94 -128.08 0.24 Allowed 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 112.646 -2.07 . . . . 0.0 108.278 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -40.06 -44.0 1.69 Allowed 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 116.79 2.145 . . . . 0.0 116.79 161.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.8 p -174.98 -30.86 0.01 OUTLIER 'General case' 0 CA--C 1.605 3.074 0 C-N-CA 130.081 3.352 . . . . 0.0 108.559 -165.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.24 142.85 30.2 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.785 1.634 . . . . 0.0 113.825 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 83' ' ' THR 0.379 2.7 mp -114.76 -115.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-N 113.582 -1.645 . . . . 0.0 108.496 -161.309 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.729 HG23 ' H ' ' A' ' 84' ' ' CYS 0.276 15.2 t -173.74 -101.34 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 115.019 -2.42 . . . . 0.0 105.469 -175.214 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.729 ' H ' HG23 ' A' ' 83' ' ' THR 0.411 1.4 p 177.24 -69.31 0.01 OUTLIER 'General case' 0 C--N 1.362 1.123 0 CA-C-N 122.25 2.295 . . . . 0.0 108.734 161.287 87.423 162.193 -68.771 107.108 1.979 107.368 138.35 122.013 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.45 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -136.61 175.88 9.21 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.695 1.198 . . . . 0.0 111.885 -173.292 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.1 p -145.87 58.57 1.24 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.011 0.434 . . . . 0.0 110.162 169.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.303 0.0 OUTLIER -160.05 -62.01 0.07 Allowed 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 117.775 -1.107 . . . . 0.0 112.287 -175.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . 0.358 5.6 p-10 55.77 127.28 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 120.854 3.65 . . . . 0.0 120.854 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -129.25 -123.13 0.22 Allowed 'General case' 0 CA--C 1.578 2.051 1 N-CA-C 98.284 -4.71 . . . . 0.0 98.284 148.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.518 ' HB3' ' CB ' ' A' ' 60' ' ' SER . . . -103.86 -44.81 4.94 Favored 'General case' 0 CA--C 1.56 1.359 0 O-C-N 120.94 -1.1 . . . . 0.0 109.035 152.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.689 ' O ' HD13 ' A' ' 95' ' ' ILE . 67.2 m -16.16 -61.47 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 118.872 2.915 . . . . 0.0 118.872 168.771 -72.372 -71.892 96.985 109.373 2.018 109.804 88.631 -102.945 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -60.25 2.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 117.061 -1.447 . . . . 0.0 110.592 169.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.68 72.35 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 -171.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -43.34 93.24 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 118.892 0.769 . . . . 0.0 110.722 170.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.689 HD13 ' O ' ' A' ' 91' ' ' CYS . 2.4 mp -66.32 -45.47 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.416 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.451 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -38.05 39.46 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 168.14 122.013 138.35 -68.771 107.368 1.979 107.108 162.193 87.423 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.03 -43.62 91.79 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . 0.253 8.1 m -67.92 -38.8 83.37 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 116.468 -1.73 . . . . 0.0 113.573 167.878 -84.344 -142.374 -107.95 111.165 1.995 107.848 120.312 69.805 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -57.11 -62.76 1.53 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 121.42 1.918 . . . . 0.0 112.967 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HG3' ' HB3' ' A' ' 84' ' ' CYS . 9.1 mmm-85 -60.35 -41.47 93.7 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 115.233 -2.318 . . . . 0.0 116.457 175.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -69.18 -16.23 63.58 Favored 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 123.355 2.798 . . . . 0.0 113.097 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.46 -31.93 48.17 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 113.347 -3.216 . . . . 0.0 112.361 159.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.6 -16.59 57.26 Favored 'General case' 0 N--CA 1.525 3.296 1 CA-C-N 126.286 4.13 . . . . 0.0 118.101 167.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 108' ' ' LYS 0.32 0.7 OUTLIER -91.84 -40.19 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 C-N-CA 131.684 3.993 . . . . 0.0 113.484 176.861 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 66.8 m -65.98 -45.91 79.97 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 120.308 -1.495 . . . . 0.0 110.027 162.13 -72.492 -140.161 -53.02 104.548 1.994 105.219 -159.214 -54.501 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.441 ' CZ ' ' SG ' ' A' ' 45' ' ' CYS . 16.1 m-30 -78.35 -34.26 48.57 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -171.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.737 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 30.9 t -68.8 -31.35 70.29 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 164.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -138.16 -73.49 0.4 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 114.616 -2.612 . . . . 0.0 112.172 -155.426 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 30.77 -166.75 0.0 OUTLIER Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 118.062 2.616 . . . . 0.0 118.062 -171.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.407 ' HD2' ' HG2' ' A' ' 40' ' ' GLU . 37.8 Cg_exo -85.96 69.92 4.75 Favored 'Trans proline' 0 N--CA 1.524 3.303 0 C-N-CA 123.635 2.89 . . . . 0.0 109.201 153.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . 0.309 1.2 t80 -63.19 158.54 19.72 Favored 'General case' 0 CA--C 1.568 1.669 0 CA-C-N 108.858 -3.792 . . . . 0.0 115.125 -167.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -157.15 111.75 2.73 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 163.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 62.89 1.34 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 126.833 3.206 . . . . 0.0 118.023 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.41 0.0 OUTLIER -152.77 -57.67 0.13 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 110.304 -3.135 . . . . 0.0 105.531 -136.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.447 ' HB2' HD21 ' A' ' 118' ' ' LEU . 18.4 p80 -91.16 64.96 5.39 Favored 'General case' 0 CA--C 1.574 1.877 0 CA-C-O 124.114 1.911 . . . . 0.0 107.898 161.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.407 ' HG3' ' HB2' ' A' ' 117' ' ' ASN 0.362 1.9 tptt -88.57 154.76 20.08 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 118.811 -2.43 . . . . 0.0 104.975 161.049 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.407 ' HB2' ' HG3' ' A' ' 116' ' ' LYS 0.299 3.7 t-20 93.6 -46.62 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.398 154.199 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.857 HD22 ' HA2' ' A' ' 26' ' ' GLY 0.464 10.0 mp 25.86 -151.07 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 127.218 2.824 . . . . 0.0 117.338 170.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -170.35 -44.5 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -154.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.449 ' H ' ' HB2' ' A' ' 123' ' ' TYR 0.484 1.4 p 90.31 60.2 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 166.463 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.573 ' HG3' ' H ' ' A' ' 122' ' ' LYS . 7.1 pttt -151.98 -69.48 0.16 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 -170.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.573 ' H ' ' HG3' ' A' ' 121' ' ' LYS 0.463 35.1 mttt -60.53 -53.09 61.71 Favored 'General case' 0 CA--C 1.601 2.918 0 C-N-CA 127.847 2.459 . . . . 0.0 112.526 154.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 118' ' ' LEU 0.513 22.2 m-30 -76.83 -34.14 57.9 Favored 'General case' 0 C--N 1.323 -0.581 1 C-N-CA 133.121 4.568 . . . . 0.0 115.024 -174.898 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . 0.372 1.3 m . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 122.574 1.178 . . . . 0.0 111.566 177.684 -96.067 128.23 55.045 103.259 1.973 105.689 -132.276 -29.712 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.65 0 CA-C-O 122.585 1.183 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' CG ' ' A' ' 69' ' ' TYR . 1.8 tm? -93.55 -60.56 1.74 Allowed 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.597 -174.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 17.4 p90 -52.72 -32.58 43.73 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-N 121.49 1.95 . . . . 0.0 115.693 169.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -83.87 -34.33 24.63 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-O 116.719 -1.61 . . . . 0.0 113.228 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.595 ' CE2' HD11 ' A' ' 9' ' ' ILE 0.315 0.0 OUTLIER -73.57 -30.56 63.11 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 120.471 1.487 . . . . 0.0 113.353 165.364 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.503 HH21 HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -53.66 -37.17 62.89 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 118.157 2.651 . . . . 0.0 118.157 173.126 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 t -68.13 -28.1 67.03 Favored 'General case' 0 N--CA 1.527 3.39 0 N-CA-C 118.238 2.681 . . . . 0.0 118.238 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -91.24 -28.93 17.49 Favored 'General case' 0 C--N 1.289 -2.034 1 C-N-CA 132.097 4.159 . . . . 0.0 111.056 172.482 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.595 HD11 ' CE2' ' A' ' 5' ' ' PHE . 1.5 mm -61.11 -45.75 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.692 0 CA-C-N 122.044 2.202 . . . . 0.0 110.66 165.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . 0.271 0.0 OUTLIER -70.01 -3.65 17.27 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 169.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.6 t -91.47 -47.29 7.52 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 124.368 1.067 . . . . 0.0 109.552 160.46 -176.762 -126.659 -76.239 108.174 1.999 108.204 -147.605 178.612 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' A' ' 107' ' ' SER . . . -39.73 -43.31 1.38 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.647 2.091 . . . . 0.0 116.647 164.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.664 HG22 ' CA ' ' A' ' 15' ' ' GLY 0.317 2.5 mp -99.95 124.94 41.87 Favored Pre-proline 0 CA--C 1.563 1.463 1 N-CA-C 99.25 -4.352 . . . . 0.0 99.25 169.628 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -42.33 -54.35 3.14 Favored 'Trans proline' 1 N--CA 1.544 4.487 0 C-N-CA 123.499 2.8 . . . . 0.0 111.452 171.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.664 ' CA ' HG22 ' A' ' 13' ' ' ILE . . . 78.03 178.63 49.28 Favored Glycine 0 N--CA 1.474 1.229 0 N-CA-C 121.491 3.356 . . . . 0.0 121.491 123.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -157.4 -91.96 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 117.996 -1.002 . . . . 0.0 112.149 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.555 ' CD2' ' H ' ' A' ' 21' ' ' ASP . 0.1 OUTLIER -76.11 121.06 84.26 Favored Pre-proline 0 CA--C 1.566 1.561 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 173.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HB2' ' HE ' ' A' ' 6' ' ' ARG . 10.6 Cg_endo -63.81 -47.86 6.29 Favored 'Trans proline' 0 N--CA 1.491 1.363 0 C-N-CA 122.059 1.84 . . . . 0.0 114.834 175.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 31' ' ' LEU . 2.9 mt -72.16 -116.98 0.0 OUTLIER 'General case' 0 C--N 1.351 0.66 0 CA-C-O 115.401 -2.238 . . . . 0.0 110.806 162.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.451 ' H ' ' HB3' ' A' ' 19' ' ' LEU 0.316 15.9 mtm 4.31 -28.09 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.246 3 C-N-CA 135.536 5.534 . . . . 0.0 122.885 -171.625 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.555 ' H ' ' CD2' ' A' ' 17' ' ' HIS . 25.6 t70 -56.46 -4.44 0.15 Allowed 'General case' 0 N--CA 1.499 2.015 0 CA-C-N 112.512 -2.131 . . . . 0.0 116.522 134.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -139.66 -46.29 0.45 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 116.219 -1.848 . . . . 0.0 109.157 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -38.17 -44.06 0.82 Allowed 'General case' 0 N--CA 1.523 3.214 0 N-CA-C 117.36 2.356 . . . . 0.0 117.36 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -124.14 97.4 5.32 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 111.206 -2.724 . . . . 0.0 104.181 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -168.69 107.44 0.47 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 103.555 -2.757 . . . . 0.0 103.555 -175.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.857 ' HA2' HD22 ' A' ' 118' ' ' LEU . . . 78.38 -91.42 1.15 Allowed Glycine 0 CA--C 1.533 1.173 0 CA-C-O 125.012 2.451 . . . . 0.0 113.52 -172.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.6 m -121.04 -38.61 2.8 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 108.655 -3.772 . . . . 0.0 115.099 174.61 -29.712 -132.276 55.045 105.689 1.973 103.259 128.23 -96.067 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.15 -28.29 0.06 Allowed 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 120.689 3.589 . . . . 0.0 120.689 -163.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 42' ' ' ASP 0.328 0.1 OUTLIER -10.85 111.57 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 119.788 3.255 . . . . 0.0 119.788 -157.785 -128.54 -28.575 84.728 110.924 1.994 110.214 147.482 -59.022 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.39 -62.83 4.52 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-O 117.567 -1.685 . . . . 0.0 114.005 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' A' ' 19' ' ' LEU 0.513 3.9 tp -102.63 -82.33 0.49 Allowed 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 119.639 1.719 . . . . 0.0 109.3 -173.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.6 -152.6 1.74 Allowed Glycine 0 CA--C 1.541 1.691 0 CA-C-N 110.425 -3.08 . . . . 0.0 117.878 -150.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 47.08 -164.61 0.14 Allowed Glycine 0 N--CA 1.486 1.988 0 N-CA-C 121.075 3.19 . . . . 0.0 121.075 172.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.4 t -165.55 147.2 7.35 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.281 0.632 . . . . 0.0 111.821 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.42 -111.61 1.9 Allowed Glycine 0 N--CA 1.475 1.265 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.814 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.85 166.98 22.2 Favored Pre-proline 0 CA--C 1.585 2.321 0 C-N-CA 124.57 1.148 . . . . 0.0 109.564 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -88.88 -154.05 0.05 OUTLIER 'Trans proline' 0 N--CA 1.501 1.961 0 C-N-CA 123.536 2.824 . . . . 0.0 114.03 -170.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 m -131.89 -59.06 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.58 2.113 0 C-N-CA 124.438 1.095 . . . . 0.0 110.828 175.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.66 162.59 18.73 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 113.075 -1.875 . . . . 0.0 113.136 -174.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HG2' ' HD2' ' A' ' 110' ' ' PRO . 2.9 tp10 -51.47 -45.88 62.92 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 120.381 -0.527 . . . . 0.0 111.464 158.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.309 0.3 OUTLIER -56.44 -43.07 79.13 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 173.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' HA ' ' SG ' ' A' ' 29' ' ' CYS . 8.4 m-20 -67.87 -20.28 65.11 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 169.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.6 mmm-85 -64.64 -42.91 95.13 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-N 120.507 1.503 . . . . 0.0 113.782 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.8 m -64.07 -13.1 44.97 Favored 'General case' 0 CA--C 1.563 1.456 0 CA-C-O 116.653 -1.642 . . . . 0.0 114.329 170.38 -54.501 -159.214 -53.02 105.219 1.994 104.548 -140.161 -72.492 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' SG ' ' CZ ' ' A' ' 106' ' ' PHE . 78.7 m -86.83 -30.6 21.36 Favored 'General case' 0 CA--C 1.557 1.227 0 CA-C-O 116.216 -1.85 . . . . 0.0 114.137 163.661 -59.022 147.482 84.728 110.214 1.994 110.924 -28.575 -128.54 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.26 -41.28 83.94 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 122.291 2.314 . . . . 0.0 111.393 166.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.3 m -91.63 -16.63 26.76 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 116.412 -1.756 . . . . 0.0 115.15 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -86.77 70.57 10.38 Favored 'General case' 0 N--CA 1.508 2.457 0 CA-C-N 123.072 2.669 . . . . 0.0 106.583 161.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 165.58 -60.73 0.0 OUTLIER 'General case' 0 CA--C 1.591 2.523 0 N-CA-C 100.744 -3.798 . . . . 0.0 100.744 -162.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.299 57.3 m-20 -75.52 -38.53 59.35 Favored 'General case' 0 C--N 1.373 1.609 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.2 p -95.68 13.77 25.28 Favored 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 116.624 -1.655 . . . . 0.0 113.191 157.141 69.805 120.312 -107.95 107.848 1.995 111.165 -142.374 -84.344 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -92.17 -46.02 7.96 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 121.662 2.028 . . . . 0.0 110.252 175.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . 0.302 0.0 OUTLIER -45.07 -48.67 11.85 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 117.717 2.488 . . . . 0.0 117.717 171.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -70.38 -3.34 17.01 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 118.999 2.963 . . . . 0.0 118.999 -154.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.623 ' CB ' HD11 ' A' ' 95' ' ' ILE . . . -45.34 -37.44 4.9 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.861 2.065 . . . . 0.0 116.207 154.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.336 0.0 OUTLIER -58.34 -44.65 88.82 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 169.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -81.34 -40.61 23.32 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 113.362 -1.744 . . . . 0.0 114.747 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' A' ' 55' ' ' ALA 0.345 12.5 tp -5.8 139.7 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 121.504 3.89 . . . . 0.0 121.504 -176.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.322 4.3 m-20 -53.94 -31.73 51.38 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-N 111.11 -2.768 . . . . 0.0 113.4 167.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.518 ' CB ' ' HB3' ' A' ' 90' ' ' ALA . 2.4 t -107.76 -26.69 10.68 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.977 1.423 . . . . 0.0 110.867 -175.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.543 ' HB2' HD23 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -134.13 105.34 6.63 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 123.889 0.743 . . . . 0.0 111.608 -175.674 -102.945 88.631 96.985 109.804 2.018 109.373 -71.892 -72.372 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -144.07 92.47 2.33 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . 0.396 2.5 p90 -150.48 -125.04 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.4 mp -92.14 -62.28 1.44 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -174.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.5 m -87.38 -52.48 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 -143.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -71.53 100.36 2.23 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.137 0.975 . . . . 0.0 113.102 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -116.08 -80.93 0.0 OUTLIER Pre-proline 0 CA--C 1.558 1.269 0 CA-C-O 114.642 -2.599 . . . . 0.0 108.528 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -83.81 -52.05 0.04 OUTLIER 'Trans proline' 0 N--CA 1.496 1.621 0 CA-C-N 126.027 3.188 . . . . 0.0 117.735 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CG ' ' HG ' ' A' ' 2' ' ' LEU . 12.9 m-30 -138.14 110.71 7.54 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 103.911 -2.625 . . . . 0.0 103.911 -168.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.338 0.2 OUTLIER -175.19 -46.67 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 120.608 3.559 . . . . 0.0 120.608 167.223 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -53.16 -61.82 2.05 Favored 'General case' 0 N--CA 1.498 1.964 1 N-CA-C 122.388 4.218 . . . . 0.0 122.388 -156.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -92.08 -172.12 3.05 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -157.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.457 ' CE2' ' HE1' ' A' ' 8' ' ' MET 0.346 26.7 m-85 113.44 134.09 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 128.736 2.814 . . . . 0.0 117.437 159.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.9 t -176.23 82.73 0.02 OUTLIER 'General case' 0 CA--C 1.562 1.419 0 CA-C-N 111.338 -2.664 . . . . 0.0 104.722 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.579 ' CD2' ' SD ' ' A' ' 8' ' ' MET 0.313 26.7 p90 -119.78 -137.64 0.34 Allowed 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -154.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.428 ' HB2' HG22 ' A' ' 83' ' ' THR 0.393 3.5 m -171.06 -179.25 2.68 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 126.949 2.1 . . . . 0.0 110.404 -161.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 44.3 t -168.68 147.48 4.18 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.213 -1.555 . . . . 0.0 108.161 140.699 178.612 -147.605 -76.239 108.204 1.999 108.174 -126.659 -176.762 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . 0.276 68.8 m -103.94 -128.08 0.24 Allowed 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 112.646 -2.07 . . . . 0.0 108.278 -177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -40.06 -44.0 1.69 Allowed 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 116.79 2.145 . . . . 0.0 116.79 161.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.8 p -174.98 -30.86 0.01 OUTLIER 'General case' 0 CA--C 1.605 3.074 0 C-N-CA 130.081 3.352 . . . . 0.0 108.559 -165.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -99.24 142.85 30.2 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.785 1.634 . . . . 0.0 113.825 -167.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.541 HG22 ' H ' ' A' ' 83' ' ' THR 0.379 2.7 mp -114.76 -115.83 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 CA-C-N 113.582 -1.645 . . . . 0.0 108.496 -161.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.729 HG23 ' H ' ' A' ' 84' ' ' CYS 0.276 15.2 t -173.74 -101.34 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 115.019 -2.42 . . . . 0.0 105.469 -175.214 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.729 ' H ' HG23 ' A' ' 83' ' ' THR 0.411 1.4 p 177.24 -69.31 0.01 OUTLIER 'General case' 0 C--N 1.362 1.123 0 CA-C-N 122.25 2.295 . . . . 0.0 108.734 161.287 87.423 162.193 -68.771 107.108 1.979 107.368 138.35 122.013 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.45 ' N ' ' SG ' ' A' ' 84' ' ' CYS . 0.1 OUTLIER -136.61 175.88 9.21 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.695 1.198 . . . . 0.0 111.885 -173.292 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.1 p -145.87 58.57 1.24 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.011 0.434 . . . . 0.0 110.162 169.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . 0.303 0.0 OUTLIER -160.05 -62.01 0.07 Allowed 'General case' 0 CA--C 1.554 1.102 0 CA-C-O 117.775 -1.107 . . . . 0.0 112.287 -175.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . 0.358 5.6 p-10 55.77 127.28 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 120.854 3.65 . . . . 0.0 120.854 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -129.25 -123.13 0.22 Allowed 'General case' 0 CA--C 1.578 2.051 1 N-CA-C 98.284 -4.71 . . . . 0.0 98.284 148.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.518 ' HB3' ' CB ' ' A' ' 60' ' ' SER . . . -103.86 -44.81 4.94 Favored 'General case' 0 CA--C 1.56 1.359 0 O-C-N 120.94 -1.1 . . . . 0.0 109.035 152.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.689 ' O ' HD13 ' A' ' 95' ' ' ILE . 67.2 m -16.16 -61.47 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 118.872 2.915 . . . . 0.0 118.872 168.771 -72.372 -71.892 96.985 109.373 2.018 109.804 88.631 -102.945 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -60.25 2.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 117.061 -1.447 . . . . 0.0 110.592 169.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.68 72.35 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 -171.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -43.34 93.24 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 118.892 0.769 . . . . 0.0 110.722 170.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.689 HD13 ' O ' ' A' ' 91' ' ' CYS . 2.4 mp -66.32 -45.47 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.416 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.451 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -38.05 39.46 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 168.14 122.013 138.35 -68.771 107.368 1.979 107.108 162.193 87.423 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -65.03 -43.62 91.79 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . 0.253 8.1 m -67.92 -38.8 83.37 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-O 116.468 -1.73 . . . . 0.0 113.573 167.878 -84.344 -142.374 -107.95 111.165 1.995 107.848 120.312 69.805 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -57.11 -62.76 1.53 Allowed 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 121.42 1.918 . . . . 0.0 112.967 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HG3' ' HB3' ' A' ' 84' ' ' CYS . 9.1 mmm-85 -60.35 -41.47 93.7 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 115.233 -2.318 . . . . 0.0 116.457 175.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -69.18 -16.23 63.58 Favored 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 123.355 2.798 . . . . 0.0 113.097 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.46 -31.93 48.17 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 113.347 -3.216 . . . . 0.0 112.361 159.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.6 -16.59 57.26 Favored 'General case' 0 N--CA 1.525 3.296 1 CA-C-N 126.286 4.13 . . . . 0.0 118.101 167.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 108' ' ' LYS 0.32 0.7 OUTLIER -91.84 -40.19 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 C-N-CA 131.684 3.993 . . . . 0.0 113.484 176.861 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 66.8 m -65.98 -45.91 79.97 Favored 'General case' 0 CA--C 1.571 1.765 0 O-C-N 120.308 -1.495 . . . . 0.0 110.027 162.13 -72.492 -140.161 -53.02 104.548 1.994 105.219 -159.214 -54.501 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.441 ' CZ ' ' SG ' ' A' ' 45' ' ' CYS . 16.1 m-30 -78.35 -34.26 48.57 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -171.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.737 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 30.9 t -68.8 -31.35 70.29 Favored 'General case' 0 CA--C 1.562 1.437 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 164.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -138.16 -73.49 0.4 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 114.616 -2.612 . . . . 0.0 112.172 -155.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 30.77 -166.75 0.0 OUTLIER Pre-proline 0 CA--C 1.585 2.32 0 N-CA-C 118.062 2.616 . . . . 0.0 118.062 -171.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.407 ' HD2' ' HG2' ' A' ' 40' ' ' GLU . 37.8 Cg_exo -85.96 69.92 4.75 Favored 'Trans proline' 0 N--CA 1.524 3.303 0 C-N-CA 123.635 2.89 . . . . 0.0 109.201 153.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . 0.309 1.2 t80 -63.19 158.54 19.72 Favored 'General case' 0 CA--C 1.568 1.669 0 CA-C-N 108.858 -3.792 . . . . 0.0 115.125 -167.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -157.15 111.75 2.73 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 163.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 62.89 1.34 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 126.833 3.206 . . . . 0.0 118.023 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . 0.41 0.0 OUTLIER -152.77 -57.67 0.13 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 110.304 -3.135 . . . . 0.0 105.531 -136.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.447 ' HB2' HD21 ' A' ' 118' ' ' LEU . 18.4 p80 -91.16 64.96 5.39 Favored 'General case' 0 CA--C 1.574 1.877 0 CA-C-O 124.114 1.911 . . . . 0.0 107.898 161.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.407 ' HG3' ' HB2' ' A' ' 117' ' ' ASN 0.362 1.9 tptt -88.57 154.76 20.08 Favored 'General case' 0 N--CA 1.438 -1.056 0 O-C-N 118.811 -2.43 . . . . 0.0 104.975 161.049 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.407 ' HB2' ' HG3' ' A' ' 116' ' ' LYS 0.299 3.7 t-20 93.6 -46.62 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.398 154.199 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.857 HD22 ' HA2' ' A' ' 26' ' ' GLY 0.464 10.0 mp 25.86 -151.07 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 127.218 2.824 . . . . 0.0 117.338 170.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -170.35 -44.5 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -154.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.449 ' H ' ' HB2' ' A' ' 123' ' ' TYR 0.484 1.4 p 90.31 60.2 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 166.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.573 ' HG3' ' H ' ' A' ' 122' ' ' LYS . 7.1 pttt -151.98 -69.48 0.16 Allowed 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 -170.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.573 ' H ' ' HG3' ' A' ' 121' ' ' LYS 0.463 35.1 mttt -60.53 -53.09 61.71 Favored 'General case' 0 CA--C 1.601 2.918 0 C-N-CA 127.847 2.459 . . . . 0.0 112.526 154.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.571 ' CD2' ' HG ' ' A' ' 118' ' ' LEU 0.513 22.2 m-30 -76.83 -34.14 57.9 Favored 'General case' 0 C--N 1.323 -0.581 1 C-N-CA 133.121 4.568 . . . . 0.0 115.024 -174.898 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . 0.372 1.3 m . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 122.574 1.178 . . . . 0.0 111.566 177.684 -96.067 128.23 55.045 103.259 1.973 105.689 -132.276 -29.712 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_