data_1f95_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 1f95 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 1' ' ' MET . 1.9 tpt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.908 0.385 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.0 m 61.83 47.69 5.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 43.23 -138.71 0.25 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.404 ' HD2' HD12 ' A' ' 29' ' ' LEU . 23.1 tpp180 62.02 46.7 6.32 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.037 0.446 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -93.75 133.42 37.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.504 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.29 147.25 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.094 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 77' ' ' TYR . 46.4 t -143.3 86.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.392 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.421 ' HA ' ' HB3' ' A' ' 76' ' ' PHE . 1.6 mp -63.47 129.24 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.437 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.644 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 7.9 mmpt? -116.27 -43.95 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -135.06 141.5 46.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.653 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.66 132.17 7.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.5 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HB2' ' HB3' ' A' ' 73' ' ' PHE . 1.9 m-20 -150.07 70.07 1.03 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.464 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.467 ' CE ' ' HG2' ' A' ' 17' ' ' MET . 9.7 ptm -174.31 165.85 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.803 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.2 t -43.06 137.5 2.43 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.451 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 24.2 pt-20 -51.99 -49.22 63.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.361 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -62.07 -37.75 86.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.972 0.415 . . . . 0.0 110.455 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.467 ' HG2' ' CE ' ' A' ' 13' ' ' MET . 36.8 ttm -66.23 -47.75 72.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.598 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' HA ' ' A' ' 15' ' ' GLU . 17.2 pt20 -68.11 -38.8 82.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.714 0.292 . . . . 0.0 110.803 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 95.7 mm-40 -67.5 -35.58 79.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -60.1 -39.87 87.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.3 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.5 t -64.57 -39.93 94.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.167 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 95.7 t -59.12 -43.95 90.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.602 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -75.78 -35.18 60.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.482 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.6 t -65.41 -34.04 77.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.122 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 29' ' ' LEU . . . -78.13 -44.09 27.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.086 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.8 m -60.25 -50.96 71.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.074 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 98.8 mm-40 -65.61 -39.69 91.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.461 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.19 91.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.971 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HA ' HD11 ' A' ' 38' ' ' ILE . 95.7 mt -62.92 -45.94 90.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.586 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 1.4 pp20? -66.17 -23.93 66.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.251 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 67.9 mttm -80.81 -51.63 8.4 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.873 0.368 . . . . 0.0 110.79 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.502 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.5 m-85 -109.28 138.9 44.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.37 32.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.498 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.497 ' O ' HG12 ' A' ' 38' ' ' ILE . 23.2 mm -154.38 119.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.266 0.555 . . . . 0.0 110.846 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 11.8 pm0 -46.39 -30.73 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.555 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HA ' ' HA3' ' B' ' 63' ' ' GLY . 25.9 ttpp -60.71 -50.77 72.14 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.071 0.462 . . . . 0.0 111.04 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.502 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.5 m-20 -66.79 -30.79 71.09 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.895 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 34' ' ' ILE . 38.8 mm -57.73 -55.04 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.633 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' B' ' 64' ' ' SER . . . -58.39 -49.81 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.879 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -56.02 -37.28 68.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.616 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 55.8 t60 -72.68 -51.89 17.53 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.203 0.525 . . . . 0.0 110.599 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 72.0 mt -59.81 -40.79 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.155 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 13.2 tmtt? -61.81 -54.22 45.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.542 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 41' ' ' HIS . 14.3 ptmm? -55.57 -41.72 73.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 0.0 111.499 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.69 -42.13 98.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.946 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.494 ' CD2' ' CD2' ' A' ' 50' ' ' TYR . 9.4 m-85 -73.72 -38.72 64.73 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 54' ' ' TRP . 1.3 m-20 -70.46 -20.33 62.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.182 0.515 . . . . 0.0 109.973 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -85.97 -44.05 12.68 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.451 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 49' ' ' LYS . 5.9 tmtm? -90.01 -47.53 7.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.314 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.547 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 53.6 m-85 -86.11 -17.2 35.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.06 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.547 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.9 m120 84.33 141.02 0.06 OUTLIER Pre-proline 0 CA--C 1.519 -0.239 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 8.9 Cg_endo -51.06 160.23 2.13 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.186 1.924 . . . . 0.0 112.439 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 88.1 m -121.58 133.48 55.0 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.012 0.525 . . . . 0.0 111.141 0.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 39.3 m95 -114.82 142.3 46.73 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.26 0.552 . . . . 0.0 112.261 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' CE1' ' HB2' ' A' ' 88' ' ' SER . 9.7 m170 -110.57 127.18 55.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 34.7 t -129.86 139.38 51.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.317 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.475 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.5 mp -137.2 151.52 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.112 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.535 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 60.1 t -152.74 122.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.382 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.4 ' HA3' ' CB ' ' B' ' 62' ' ' PHE . . . -159.24 158.58 29.64 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 119.736 -1.221 . . . . 0.0 113.851 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -67.59 -30.95 70.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.425 . . . . 0.0 110.322 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -171.16 134.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.645 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CZ ' HG23 ' A' ' 57' ' ' ILE . 3.7 p90 179.2 -170.98 0.13 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.3 0.572 . . . . 0.0 111.416 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.5 142.52 7.99 Favored Glycine 0 N--CA 1.452 -0.3 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.516 ' HB3' ' CG2' ' B' ' 57' ' ' ILE . 73.7 p -155.02 146.81 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.558 0.679 . . . . 0.0 112.709 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.476 ' CB ' ' HA ' ' B' ' 40' ' ' ALA . 1.3 t80 -106.11 125.61 51.21 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG23 ' CE2' ' A' ' 86' ' ' PHE . 30.8 m -153.32 147.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' C' ' 4' ' ' ASP . 90.0 m -109.16 132.48 54.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.044 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 26.9 p80 -113.32 -173.14 2.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.117 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.28 -122.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.651 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' C' ' 1' ' ' MET . 65.0 m -144.54 138.29 27.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 110.315 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt 63.58 17.34 10.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 110.884 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.45 ' CD2' ' HD3' ' A' ' 87' ' ' LYS . 38.5 m80 -140.82 69.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.394 0.616 . . . . 0.0 109.835 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 65.4 t80 -156.66 138.79 14.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.17 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.5 tt -168.71 147.45 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.219 0.533 . . . . 0.0 111.632 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.433 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 5.7 t80 -149.55 140.83 23.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.444 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 22' ' ' VAL . 5.5 p90 -166.88 144.77 4.97 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.501 ' CE2' ' HG3' ' A' ' 9' ' ' LYS . 53.7 m-85 -90.16 122.45 33.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.291 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' O ' ' CG2' ' A' ' 81' ' ' VAL . 27.9 tp -116.18 125.32 52.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.477 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 52.14 38.0 47.37 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.178 -1.011 . . . . 0.0 111.815 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 79' ' ' GLY . 72.9 mt-30 82.68 -26.8 0.13 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.906 0.482 . . . . 0.0 112.184 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 81' ' ' VAL . 12.6 m -79.93 133.94 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 121.002 0.429 . . . . 0.0 111.352 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 58' ' ' VAL . . . -76.56 142.4 40.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.637 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.406 ' CD1' ' HB1' ' A' ' 25' ' ' ALA . 55.5 mt -140.16 103.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.11 0.481 . . . . 0.0 110.83 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.433 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 41.7 tp -100.01 142.65 31.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.241 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD2' ' CE2' ' A' ' 46' ' ' PHE . 54.9 tp -147.99 132.81 17.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.724 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.441 ' CE2' HG23 ' A' ' 66' ' ' VAL . 8.0 p90 -177.11 140.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 56.6 mtpt -79.07 134.17 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 110.309 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.461 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 25.0 m -154.62 43.45 0.5 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 0.0 110.457 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.551 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.784 0.326 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.5 p -177.92 46.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.53 135.71 57.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.014 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.421 ' CZ ' ' HB2' ' B' ' 4' ' ' ARG . 17.1 ttm105 -177.02 130.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -158.67 132.21 7.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.82 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.59 147.75 47.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.606 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.408 ' HB ' ' HB3' ' B' ' 77' ' ' TYR . 58.1 t -156.82 66.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.878 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.553 ' HA ' ' CB ' ' B' ' 76' ' ' PHE . 61.0 mt -43.82 124.39 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.406 -178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -87.92 -40.91 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.48 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -174.84 144.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.456 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' B' ' 74' ' ' ILE . . . -154.82 138.51 16.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.143 0.497 . . . . 0.0 112.006 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -133.67 78.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.417 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' MET . . . . . 0.472 ' CE ' ' HG2' ' B' ' 17' ' ' MET . 11.8 ptm -175.49 165.32 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 48.1 t -45.23 136.14 5.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.607 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.447 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -50.83 -46.62 60.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.67 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' B' ' 15' ' ' GLU . 95.6 mt-10 -62.04 -39.72 93.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.953 0.406 . . . . 0.0 110.673 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' MET . . . . . 0.472 ' HG2' ' CE ' ' B' ' 13' ' ' MET . 31.1 ttm -65.91 -48.01 72.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.505 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' B' ' 15' ' ' GLU . 17.1 pt20 -67.09 -37.66 84.34 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.759 0.314 . . . . 0.0 110.559 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -66.16 -35.91 81.72 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.92 -39.44 85.44 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.295 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.415 ' OG ' ' CZ ' ' B' ' 46' ' ' PHE . 51.0 m -63.02 -41.4 99.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.936 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.568 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 92.8 t -57.43 -45.69 85.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.94 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -75.39 -35.08 61.13 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 44.9 t -63.95 -33.09 74.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.725 179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.442 ' HB1' HG12 ' B' ' 83' ' ' ILE . . . -78.77 -46.79 18.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.151 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 89.9 m -56.35 -52.71 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.085 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.67 -37.43 87.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.222 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.47 83.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.317 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.426 ' CD2' ' CD1' ' B' ' 38' ' ' ILE . 96.6 mt -70.01 -40.93 74.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.288 0.566 . . . . 0.0 109.944 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.49 -37.8 79.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.349 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.17 -49.97 8.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.051 0.453 . . . . 0.0 111.048 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . 0.433 ' CG ' ' HB3' ' B' ' 37' ' ' ASP . 62.1 m-85 -107.19 136.11 47.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.162 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.407 ' O ' ' CD1' ' B' ' 34' ' ' ILE . 23.4 p30 -108.55 31.99 5.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.98 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.458 ' CG2' ' HG2' ' B' ' 36' ' ' LYS . 45.1 mm -153.34 126.65 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.244 0.545 . . . . 0.0 109.722 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.626 ' HG2' ' HA2' ' B' ' 59' ' ' GLY . 0.3 OUTLIER -40.45 -39.79 1.08 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.191 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.458 ' HG2' ' CG2' ' B' ' 34' ' ' ILE . 21.9 pttp -53.99 -51.64 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . 0.433 ' HB3' ' CG ' ' B' ' 32' ' ' TYR . 66.7 m-20 -76.43 -36.57 57.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 0.0 110.509 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 34' ' ' ILE . 77.6 mt -55.28 -52.13 48.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.426 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.99 -52.45 49.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.149 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.476 ' HA ' ' CB ' ' A' ' 65' ' ' TYR . . . -54.92 -34.21 62.91 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -68.69 -52.78 27.27 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.484 0.659 . . . . 0.0 109.942 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 68.7 mt -58.43 -44.65 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.923 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' B' ' 54' ' ' TRP . 49.1 tttm -55.68 -50.15 71.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.865 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.93 -44.91 87.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.728 0.299 . . . . 0.0 111.632 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.413 ' O ' ' HD3' ' B' ' 49' ' ' LYS . 65.9 mm-40 -60.37 -44.76 95.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.869 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.514 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 36.2 m-85 -72.85 -38.29 67.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.094 0.473 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -68.81 -31.52 70.57 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.219 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -89.57 -38.21 14.13 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' B' ' 49' ' ' LYS . 4.0 mptp? -87.71 -47.7 8.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.514 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 65.2 m-85 -90.27 3.89 52.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 3.9 m120 78.46 139.94 0.07 OUTLIER Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 21.1 Cg_endo -61.36 161.58 23.18 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.718 1.612 . . . . 0.0 111.969 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' B' ' 52' ' ' PRO . 89.4 m -121.42 134.11 55.09 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 123.094 0.558 . . . . 0.0 110.87 0.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TRP . . . . . 0.521 ' O ' ' HG3' ' B' ' 43' ' ' LYS . 44.8 m95 -112.41 136.4 51.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.096 0.474 . . . . 0.0 111.982 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.493 ' CE1' ' HB3' ' B' ' 88' ' ' SER . 10.9 m170 -105.3 132.23 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' CYS . . . . . . . . . . . . . 26.7 t -129.47 145.66 51.41 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.945 -0.702 . . . . 0.0 112.099 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.516 ' CG2' ' HB3' ' A' ' 64' ' ' SER . 12.2 mt -141.81 152.93 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.954 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . 0.465 ' O ' ' CG ' ' B' ' 35' ' ' GLU . 40.5 t -151.89 135.78 8.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.626 ' HA2' ' HG2' ' B' ' 35' ' ' GLU . . . -172.37 155.09 22.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 119.54 -1.314 . . . . 0.0 113.943 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -68.73 -32.65 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 109.87 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' B' ' 62' ' ' PHE . 46.4 t30 -166.83 131.78 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.139 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.464 ' CZ ' HG23 ' B' ' 57' ' ' ILE . 9.8 p90 178.35 144.79 0.12 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.129 0.49 . . . . 0.0 112.106 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . 0.434 ' HA3' ' HA ' ' A' ' 36' ' ' LYS . . . -109.04 151.17 17.15 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.463 ' HB2' HG13 ' A' ' 57' ' ' ILE . 67.7 p -165.9 147.32 6.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.09 0.945 . . . . 0.0 113.201 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 5.2 t80 -109.72 131.01 55.46 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' B' ' 86' ' ' PHE . 27.7 m -155.08 149.92 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' D' ' 4' ' ' ASP . 89.8 m -115.39 137.53 51.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.687 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' B' ' 87' ' ' LYS . 32.5 p80 -128.93 -169.85 2.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.147 -178.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -81.95 -125.65 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.191 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' THR . . . . . 0.409 ' N ' ' HA ' ' D' ' 1' ' ' MET . 89.2 m -146.62 140.56 26.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.697 0.284 . . . . 0.0 110.403 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt 61.46 18.96 9.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.739 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -141.89 64.8 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.297 0.57 . . . . 0.0 109.8 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.47 ' HD1' ' HB3' ' B' ' 86' ' ' PHE . 2.6 t80 -154.43 139.27 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.758 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.507 ' HA ' ' HA ' ' B' ' 11' ' ' ALA . 6.7 tt -163.53 144.57 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.228 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -148.04 127.89 13.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.399 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' B' ' 22' ' ' VAL . 1.9 p90 -149.8 141.96 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.419 0.628 . . . . 0.0 112.308 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . 0.408 ' HB3' ' HB ' ' B' ' 7' ' ' VAL . 18.3 t80 -89.97 123.29 33.75 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.173 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . 0.401 ' HG ' ' HG3' ' B' ' 4' ' ' ARG . 32.5 tp -120.43 120.43 35.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.993 0.425 . . . . 0.0 110.52 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 51.76 -133.01 36.06 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.927 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -90.37 42.73 1.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.819 0.342 . . . . 0.0 110.606 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' B' ' 82' ' ' ALA . 4.8 p -167.88 159.13 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.471 0.653 . . . . 0.0 111.956 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.455 ' O ' ' HA ' ' B' ' 58' ' ' VAL . . . -116.61 148.12 41.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . 0.445 ' N ' ' CD1' ' B' ' 83' ' ' ILE . 2.4 mp -129.84 109.81 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.77 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LEU . . . . . . . . . . . . . 61.6 tp -103.65 140.7 37.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.567 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.457 ' CD2' ' CE2' ' B' ' 46' ' ' PHE . 65.6 tp -149.17 138.87 21.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.199 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.47 ' HB3' ' HD1' ' B' ' 73' ' ' PHE . 8.7 p90 -178.5 141.95 0.23 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . 0.531 ' O ' ' HB2' ' B' ' 68' ' ' HIS . 50.0 mtpt -81.05 133.53 35.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.006 0.431 . . . . 0.0 110.888 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.493 ' HB3' ' CE1' ' B' ' 55' ' ' HIS . 40.9 t -153.31 44.78 0.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.258 0.551 . . . . 0.0 110.335 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.547 -179.837 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.419 ' HA ' ' OG1' ' A' ' 70' ' ' THR . 25.5 ptt? . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.776 0.322 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -66.42 -65.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.397 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p 174.73 145.6 0.06 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.0 0.429 . . . . 0.0 111.265 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 3.0 p30 -54.78 155.54 4.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.454 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -147.69 134.75 20.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.385 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -101.82 123.39 45.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.742 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 70.3 p -91.71 151.54 20.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' GLN . . . . . 0.401 ' CG ' ' HB3' ' B' ' 36' ' ' LYS . 3.9 tm0? -169.09 128.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.557 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.98 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.409 ' HA ' ' N ' ' B' ' 70' ' ' THR . 3.6 mpp? . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.732 0.301 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -169.09 112.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' CYS . . . . . . . . . . . . . 53.7 t -170.59 127.5 0.78 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 2.9 p30 -75.99 149.74 37.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.626 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -162.66 129.5 3.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.982 0.42 . . . . 0.0 111.707 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -72.34 163.72 27.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.685 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' THR . . . . . . . . . . . . . 69.1 p -157.32 137.62 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 0.0 111.255 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -156.53 142.53 18.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.695 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' THR . . . . . . . . . . . . . 79.4 p . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.045 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.582 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 1.9 tpt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.908 0.385 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.0 m 61.83 47.69 5.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 43.23 -138.71 0.25 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.804 ' NH1' HD13 ' A' ' 29' ' ' LEU . 23.1 tpp180 62.02 46.7 6.32 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.037 0.446 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -93.75 133.42 37.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.504 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.29 147.25 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.094 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 77' ' ' TYR . 46.4 t -143.3 86.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.392 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 8' ' ' ILE . 1.6 mp -63.47 129.24 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.437 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.685 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 7.9 mmpt? -116.27 -43.95 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -135.06 141.5 46.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.653 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.66 132.17 7.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.5 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 73' ' ' PHE . 1.9 m-20 -150.07 70.07 1.03 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.464 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.463 ' CE ' ' HG2' ' A' ' 17' ' ' MET . 9.7 ptm -174.31 165.85 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.803 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.2 t -43.06 137.5 2.43 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.451 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 24.2 pt-20 -51.99 -49.22 63.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.361 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 44.7 tt0 -62.07 -37.75 86.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.972 0.415 . . . . 0.0 110.455 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.463 ' HG2' ' CE ' ' A' ' 13' ' ' MET . 36.8 ttm -66.23 -47.75 72.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.598 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.805 ' HB2' HD12 ' A' ' 74' ' ' ILE . 14.9 pt20 -68.11 -38.8 82.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.714 0.292 . . . . 0.0 110.803 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 95.7 mm-40 -67.5 -35.58 79.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -60.1 -39.87 87.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.3 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.5 t -64.57 -39.93 94.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.167 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 95.7 t -59.12 -43.95 90.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.602 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -75.78 -35.18 60.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.482 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.503 ' SG ' HG23 ' A' ' 42' ' ' ILE . 50.6 t -65.41 -34.04 77.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.122 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.727 ' HB1' HD13 ' A' ' 83' ' ' ILE . . . -78.13 -44.09 27.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.086 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.49 ' HA ' HD21 ' A' ' 78' ' ' LEU . 90.8 m -60.25 -50.96 71.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.074 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 98.8 mm-40 -65.61 -39.69 91.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.461 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -59.07 -45.19 91.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.971 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.804 HD13 ' NH1' ' A' ' 4' ' ' ARG . 95.7 mt -62.92 -45.94 90.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.586 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 1.4 pp20? -66.17 -23.93 66.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.251 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 67.9 mttm -80.81 -51.63 8.4 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.873 0.368 . . . . 0.0 110.79 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.5 m-85 -109.28 138.9 44.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -94.37 32.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.498 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.529 HG22 ' H ' ' A' ' 36' ' ' LYS . 23.2 mm -154.38 119.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.266 0.555 . . . . 0.0 110.846 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 11.8 pm0 -46.39 -30.73 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.555 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.529 ' H ' HG22 ' A' ' 34' ' ' ILE . 25.9 ttpp -60.71 -50.77 72.14 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.071 0.462 . . . . 0.0 111.04 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.522 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.5 m-20 -66.79 -30.79 71.09 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.895 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.677 HG13 HD23 ' A' ' 29' ' ' LEU . 38.8 mm -57.73 -55.04 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.633 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' B' ' 64' ' ' SER . . . -58.39 -49.81 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.879 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -56.02 -37.28 68.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.616 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 55.8 t60 -72.68 -51.89 17.53 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.203 0.525 . . . . 0.0 110.599 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.685 HD11 ' HA ' ' A' ' 25' ' ' ALA . 72.0 mt -59.81 -40.79 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.155 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HD3' ' C ' ' A' ' 43' ' ' LYS . 13.2 tmtt? -61.81 -54.22 45.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.542 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 41' ' ' HIS . 14.3 ptmm? -55.57 -41.72 73.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 0.0 111.499 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.69 -42.13 98.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.946 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.73 ' CE2' HD21 ' A' ' 85' ' ' LEU . 9.4 m-85 -73.72 -38.72 64.73 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.46 -20.33 62.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.182 0.515 . . . . 0.0 109.973 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -85.97 -44.05 12.68 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.451 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HD3' ' O ' ' A' ' 49' ' ' LYS . 5.9 tmtm? -90.01 -47.53 7.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.314 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 53.6 m-85 -86.11 -17.2 35.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.06 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 37.2 m-20 84.33 141.02 0.06 OUTLIER Pre-proline 0 CA--C 1.519 -0.239 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 8.9 Cg_endo -51.06 160.23 2.13 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.186 1.924 . . . . 0.0 112.439 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 88.1 m -121.58 133.48 55.0 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.012 0.525 . . . . 0.0 111.141 0.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 39.3 m95 -114.82 142.3 46.73 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.26 0.552 . . . . 0.0 112.261 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.57 127.18 55.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.732 ' C ' HD12 ' A' ' 57' ' ' ILE . 34.7 t -129.86 139.38 51.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.317 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.836 HG23 ' HB3' ' B' ' 64' ' ' SER . 1.5 mp -137.2 151.52 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.112 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 60.1 t -152.74 122.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.382 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' B' ' 62' ' ' PHE . . . -159.24 158.58 29.64 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 119.736 -1.221 . . . . 0.0 113.851 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -67.59 -30.95 70.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.425 . . . . 0.0 110.322 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.695 ' HA ' HG21 ' C' ' 9' ' ' THR . 24.5 p30 -171.16 134.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.645 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.596 ' HE1' ' HB3' ' A' ' 82' ' ' ALA . 3.7 p90 179.2 -170.98 0.13 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.3 0.572 . . . . 0.0 111.416 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.5 142.52 7.99 Favored Glycine 0 N--CA 1.452 -0.3 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.916 ' HB3' HG23 ' B' ' 57' ' ' ILE . 73.7 p -155.02 146.81 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.558 0.679 . . . . 0.0 112.709 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.469 ' CG ' ' HD3' ' B' ' 43' ' ' LYS . 1.3 t80 -106.11 125.61 51.21 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.749 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 30.8 m -153.32 147.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' C' ' 4' ' ' ASP . 90.0 m -109.16 132.48 54.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.044 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 26.9 p80 -113.32 -173.14 2.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.117 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.28 -122.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.651 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.762 HG22 ' HG3' ' A' ' 71' ' ' LYS . 65.0 m -144.54 138.29 27.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 110.315 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.762 ' HG3' HG22 ' A' ' 70' ' ' THR . 53.4 mtpt 63.58 17.34 10.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 110.884 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.477 ' CD2' ' HD3' ' A' ' 87' ' ' LYS . 38.5 m80 -140.82 69.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.394 0.616 . . . . 0.0 109.835 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 65.4 t80 -156.66 138.79 14.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.17 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.805 HD12 ' HB2' ' A' ' 18' ' ' GLN . 9.5 tt -168.71 147.45 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.219 0.533 . . . . 0.0 111.632 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.636 ' HD2' HD13 ' A' ' 84' ' ' LEU . 5.7 t80 -149.55 140.83 23.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.444 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' A' ' 22' ' ' VAL . 5.5 p90 -166.88 144.77 4.97 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.531 ' HE1' ' HH ' ' A' ' 75' ' ' TYR . 53.7 m-85 -90.16 122.45 33.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.291 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.9 ' O ' HG22 ' A' ' 81' ' ' VAL . 27.9 tp -116.18 125.32 52.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 52.14 38.0 47.37 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.178 -1.011 . . . . 0.0 111.815 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 79' ' ' GLY . 72.9 mt-30 82.68 -26.8 0.13 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.906 0.482 . . . . 0.0 112.184 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.9 HG22 ' O ' ' A' ' 78' ' ' LEU . 12.6 m -79.93 133.94 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 121.002 0.429 . . . . 0.0 111.352 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.615 ' HB2' HG22 ' C' ' 9' ' ' THR . . . -76.56 142.4 40.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.637 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 29' ' ' LEU . 55.5 mt -140.16 103.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.11 0.481 . . . . 0.0 110.83 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.016 HD22 HG21 ' C' ' 7' ' ' THR . 41.7 tp -100.01 142.65 31.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.241 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.73 HD21 ' CE2' ' A' ' 46' ' ' PHE . 54.9 tp -147.99 132.81 17.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.724 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.749 ' CZ ' HG21 ' A' ' 66' ' ' VAL . 8.0 p90 -177.11 140.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 56.6 mtpt -79.07 134.17 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 110.309 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.0 m -154.62 43.45 0.5 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 0.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.551 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.784 0.326 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.5 p -177.92 46.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.53 135.71 57.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.014 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.644 ' HG2' HD11 ' B' ' 78' ' ' LEU . 17.1 ttm105 -177.02 130.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.432 ' C ' HD12 ' B' ' 78' ' ' LEU . 75.0 mmtt -158.67 132.21 7.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.82 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.59 147.75 47.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.606 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' B' ' 77' ' ' TYR . 58.1 t -156.82 66.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.878 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.57 ' HA ' ' CB ' ' B' ' 76' ' ' PHE . 61.0 mt -43.82 124.39 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.406 -178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -87.92 -40.91 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.48 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -174.84 144.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.456 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . 0.635 ' HB2' HG13 ' B' ' 74' ' ' ILE . . . -154.82 138.51 16.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.143 0.497 . . . . 0.0 112.006 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -133.67 78.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.417 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' MET . . . . . 0.462 ' CE ' ' HG2' ' B' ' 17' ' ' MET . 11.8 ptm -175.49 165.32 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 48.1 t -45.23 136.14 5.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.607 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.423 ' HA ' ' HG2' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -50.83 -46.62 60.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.67 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' B' ' 15' ' ' GLU . 95.6 mt-10 -62.04 -39.72 93.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.953 0.406 . . . . 0.0 110.673 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' MET . . . . . 0.462 ' HG2' ' CE ' ' B' ' 13' ' ' MET . 31.1 ttm -65.91 -48.01 72.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.505 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.857 ' HB2' HD12 ' B' ' 74' ' ' ILE . 14.4 pt20 -67.09 -37.66 84.34 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.759 0.314 . . . . 0.0 110.559 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -66.16 -35.91 81.72 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.92 -39.44 85.44 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.295 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 51.0 m -63.02 -41.4 99.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.936 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.584 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 92.8 t -57.43 -45.69 85.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.94 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -75.39 -35.08 61.13 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' CYS . . . . . 0.596 ' SG ' HG23 ' B' ' 42' ' ' ILE . 44.9 t -63.95 -33.09 74.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.725 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.598 ' HB1' HG12 ' B' ' 83' ' ' ILE . . . -78.77 -46.79 18.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.151 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 89.9 m -56.35 -52.71 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.085 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.67 -37.43 87.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.222 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' B' ' 24' ' ' CYS . . . -59.46 -39.47 83.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.317 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.874 ' CD2' HD13 ' B' ' 38' ' ' ILE . 96.6 mt -70.01 -40.93 74.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.288 0.566 . . . . 0.0 109.944 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.49 -37.8 79.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.349 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.17 -49.97 8.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.051 0.453 . . . . 0.0 111.048 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.453 ' CG ' ' HB3' ' B' ' 37' ' ' ASP . 62.1 m-85 -107.19 136.11 47.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.162 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASN . . . . . 0.547 ' O ' HD13 ' B' ' 34' ' ' ILE . 23.4 p30 -108.55 31.99 5.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.98 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.569 HG22 ' HG2' ' B' ' 36' ' ' LYS . 45.1 mm -153.34 126.65 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.244 0.545 . . . . 0.0 109.722 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.684 ' HG3' HG12 ' B' ' 58' ' ' VAL . 0.3 OUTLIER -40.45 -39.79 1.08 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.191 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LYS . . . . . 0.569 ' HG2' HG22 ' B' ' 34' ' ' ILE . 21.9 pttp -53.99 -51.64 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' B' ' 32' ' ' TYR . 66.7 m-20 -76.43 -36.57 57.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 0.0 110.509 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.874 HD13 ' CD2' ' B' ' 29' ' ' LEU . 77.6 mt -55.28 -52.13 48.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.426 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . 0.411 ' HB2' HG23 ' B' ' 58' ' ' VAL . . . -65.99 -52.45 49.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.149 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 65' ' ' TYR . . . -54.92 -34.21 62.91 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -68.69 -52.78 27.27 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.484 0.659 . . . . 0.0 109.942 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.596 HG23 ' SG ' ' B' ' 24' ' ' CYS . 68.7 mt -58.43 -44.65 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.923 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' B' ' 54' ' ' TRP . 49.1 tttm -55.68 -50.15 71.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.865 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.93 -44.91 87.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.728 0.299 . . . . 0.0 111.632 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.429 ' O ' ' HD3' ' B' ' 49' ' ' LYS . 65.9 mm-40 -60.37 -44.76 95.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.869 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.526 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 36.2 m-85 -72.85 -38.29 67.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.094 0.473 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -68.81 -31.52 70.57 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.219 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -89.57 -38.21 14.13 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' B' ' 49' ' ' LYS . 4.0 mptp? -87.71 -47.7 8.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 65.2 m-85 -90.27 3.89 52.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 42.5 m-20 78.46 139.94 0.07 OUTLIER Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 21.1 Cg_endo -61.36 161.58 23.18 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.718 1.612 . . . . 0.0 111.969 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 52' ' ' PRO . 89.4 m -121.42 134.11 55.09 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 123.094 0.558 . . . . 0.0 110.87 0.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TRP . . . . . 0.526 ' CD2' ' HB3' ' B' ' 46' ' ' PHE . 44.8 m95 -112.41 136.4 51.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.096 0.474 . . . . 0.0 111.982 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -105.3 132.23 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' B' ' 39' ' ' ALA . 26.7 t -129.47 145.66 51.41 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.945 -0.702 . . . . 0.0 112.099 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.916 HG23 ' HB3' ' A' ' 64' ' ' SER . 12.2 mt -141.81 152.93 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.954 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.684 HG12 ' HG3' ' B' ' 35' ' ' GLU . 40.5 t -151.89 135.78 8.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.669 ' HA2' ' HG2' ' B' ' 35' ' ' GLU . . . -172.37 155.09 22.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 119.54 -1.314 . . . . 0.0 113.943 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.43 ' HD3' ' ND2' ' A' ' 61' ' ' ASN . 51.0 mtp85 -68.73 -32.65 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 109.87 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.502 ' HA ' HG21 ' D' ' 9' ' ' THR . 16.7 t-20 -166.83 131.78 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.139 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' B' ' 61' ' ' ASN . 9.8 p90 178.35 144.79 0.12 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.129 0.49 . . . . 0.0 112.106 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 36' ' ' LYS . . . -109.04 151.17 17.15 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.836 ' HB3' HG23 ' A' ' 57' ' ' ILE . 67.7 p -165.9 147.32 6.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.09 0.945 . . . . 0.0 113.201 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.418 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 5.2 t80 -109.72 131.01 55.46 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.853 HG21 ' CE2' ' B' ' 86' ' ' PHE . 27.7 m -155.08 149.92 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' THR . . . . . 0.646 HG23 ' C ' ' D' ' 3' ' ' CYS . 89.8 m -115.39 137.53 51.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.687 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' B' ' 87' ' ' LYS . 32.5 p80 -128.93 -169.85 2.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.147 -178.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.408 ' HA ' ' C ' ' D' ' 1' ' ' MET . 52.9 mt-10 -81.95 -125.65 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.191 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.768 HG22 ' HG3' ' B' ' 71' ' ' LYS . 89.2 m -146.62 140.56 26.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.697 0.284 . . . . 0.0 110.403 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.768 ' HG3' HG22 ' B' ' 70' ' ' THR . 53.5 mtpt 61.46 18.96 9.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.739 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' HIS . . . . . 0.436 ' HA ' ' HE3' ' B' ' 13' ' ' MET . 42.1 m80 -141.89 64.8 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.297 0.57 . . . . 0.0 109.8 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.492 ' HD1' ' HB3' ' B' ' 86' ' ' PHE . 2.6 t80 -154.43 139.27 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.758 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.857 HD12 ' HB2' ' B' ' 18' ' ' GLN . 6.7 tt -163.53 144.57 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.228 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' TYR . . . . . 0.518 ' CG ' HD13 ' B' ' 84' ' ' LEU . 1.3 t80 -148.04 127.89 13.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.399 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' B' ' 22' ' ' VAL . 1.9 p90 -149.8 141.96 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.419 0.628 . . . . 0.0 112.308 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' TYR . . . . . 0.601 ' HD1' ' HB2' ' B' ' 82' ' ' ALA . 18.3 t80 -89.97 123.29 33.75 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.173 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.644 HD11 ' HG2' ' B' ' 4' ' ' ARG . 32.5 tp -120.43 120.43 35.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.993 0.425 . . . . 0.0 110.52 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 51.76 -133.01 36.06 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.927 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -90.37 42.73 1.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.819 0.342 . . . . 0.0 110.606 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . 0.523 HG22 ' N ' ' B' ' 82' ' ' ALA . 4.8 p -167.88 159.13 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.471 0.653 . . . . 0.0 111.956 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.8 ' C ' HD12 ' B' ' 83' ' ' ILE . . . -116.61 148.12 41.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ILE . . . . . 0.8 HD12 ' C ' ' B' ' 82' ' ' ALA . 2.4 mp -129.84 109.81 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.77 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LEU . . . . . 0.602 HD23 HD12 ' B' ' 57' ' ' ILE . 61.6 tp -103.65 140.7 37.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.567 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' B' ' 46' ' ' PHE . 65.6 tp -149.17 138.87 21.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.199 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.853 ' CE2' HG21 ' B' ' 66' ' ' VAL . 8.7 p90 -178.5 141.95 0.23 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' B' ' 68' ' ' HIS . 50.0 mtpt -81.05 133.53 35.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.006 0.431 . . . . 0.0 110.888 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.9 t -153.31 44.78 0.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.258 0.551 . . . . 0.0 110.335 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.547 -179.837 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.44 ' HA ' ' OG1' ' A' ' 70' ' ' THR . 25.5 ptt? . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.776 0.322 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -66.42 -65.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.397 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p 174.73 145.6 0.06 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.0 0.429 . . . . 0.0 111.265 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ASP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 3.0 p30 -54.78 155.54 4.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.454 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -147.69 134.75 20.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.385 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -101.82 123.39 45.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.742 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' THR . . . . . 1.016 HG21 HD22 ' A' ' 84' ' ' LEU . 70.3 p -91.71 151.54 20.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' GLN . . . . . 0.408 ' CG ' ' HB3' ' B' ' 36' ' ' LYS . 3.9 tm0? -169.09 128.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.557 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' THR . . . . . 0.695 HG21 ' HA ' ' A' ' 61' ' ' ASN . 67.0 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.415 ' HA ' ' N ' ' B' ' 70' ' ' THR . 3.6 mpp? . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.732 0.301 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -169.09 112.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' CYS . . . . . 0.646 ' C ' HG23 ' B' ' 67' ' ' THR . 53.7 t -170.59 127.5 0.78 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ASP . . . . . 0.467 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 2.9 p30 -75.99 149.74 37.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.626 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -162.66 129.5 3.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.982 0.42 . . . . 0.0 111.707 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -72.34 163.72 27.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.685 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' THR . . . . . 0.426 ' HG1' ' HG ' ' B' ' 64' ' ' SER . 69.1 p -157.32 137.62 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 0.0 111.255 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -156.53 142.53 18.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.695 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' THR . . . . . 0.56 HG22 ' HB3' ' B' ' 82' ' ' ALA . 79.4 p . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.582 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 1.9 tpt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.908 0.385 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.0 m 61.83 47.69 5.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 43.23 -138.71 0.25 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.804 ' NH1' HD13 ' A' ' 29' ' ' LEU . 23.1 tpp180 62.02 46.7 6.32 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.037 0.446 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -93.75 133.42 37.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.504 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.29 147.25 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.094 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.427 ' HB ' ' HB2' ' A' ' 77' ' ' TYR . 46.4 t -143.3 86.86 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.392 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.566 HD12 ' N ' ' A' ' 8' ' ' ILE . 1.6 mp -63.47 129.24 26.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.437 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.685 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 7.9 mmpt? -116.27 -43.95 2.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -135.06 141.5 46.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.653 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.66 132.17 7.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.5 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 73' ' ' PHE . 1.9 m-20 -150.07 70.07 1.03 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.464 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.463 ' CE ' ' HG2' ' A' ' 17' ' ' MET . 9.7 ptm -174.31 165.85 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.803 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.2 t -43.06 137.5 2.43 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.451 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 24.2 pt-20 -51.99 -49.22 63.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.361 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 44.7 tt0 -62.07 -37.75 86.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.972 0.415 . . . . 0.0 110.455 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.463 ' HG2' ' CE ' ' A' ' 13' ' ' MET . 36.8 ttm -66.23 -47.75 72.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.598 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.805 ' HB2' HD12 ' A' ' 74' ' ' ILE . 17.2 pt20 -68.11 -38.8 82.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.714 0.292 . . . . 0.0 110.803 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 95.7 mm-40 -67.5 -35.58 79.4 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -60.1 -39.87 87.7 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.3 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.5 t -64.57 -39.93 94.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.167 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 95.7 t -59.12 -43.95 90.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.602 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -75.78 -35.18 60.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.482 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.503 ' SG ' HG23 ' A' ' 42' ' ' ILE . 50.6 t -65.41 -34.04 77.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.122 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.727 ' HB1' HD13 ' A' ' 83' ' ' ILE . . . -78.13 -44.09 27.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.086 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.49 ' HA ' HD21 ' A' ' 78' ' ' LEU . 90.8 m -60.25 -50.96 71.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.074 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 30' ' ' GLU . 98.8 mm-40 -65.61 -39.69 91.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.461 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 24' ' ' CYS . . . -59.07 -45.19 91.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.971 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.804 HD13 ' NH1' ' A' ' 4' ' ' ARG . 95.7 mt -62.92 -45.94 90.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.586 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 1.4 pp20? -66.17 -23.93 66.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.251 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 27' ' ' GLN . 67.9 mttm -80.81 -51.63 8.4 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.873 0.368 . . . . 0.0 110.79 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' CD2' ' HB3' ' A' ' 37' ' ' ASP . 3.5 m-85 -109.28 138.9 44.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.37 32.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.498 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.529 HG22 ' H ' ' A' ' 36' ' ' LYS . 23.2 mm -154.38 119.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.266 0.555 . . . . 0.0 110.846 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 11.8 pm0 -46.39 -30.73 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.118 -0.946 . . . . 0.0 112.555 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.529 ' H ' HG22 ' A' ' 34' ' ' ILE . 25.9 ttpp -60.71 -50.77 72.14 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.071 0.462 . . . . 0.0 111.04 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.522 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 1.5 m-20 -66.79 -30.79 71.09 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.895 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.677 HG13 HD23 ' A' ' 29' ' ' LEU . 38.8 mm -57.73 -55.04 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.633 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' B' ' 64' ' ' SER . . . -58.39 -49.81 75.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.879 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' HA ' ' CD2' ' B' ' 65' ' ' TYR . . . -56.02 -37.28 68.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.616 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.448 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 55.8 t60 -72.68 -51.89 17.53 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.203 0.525 . . . . 0.0 110.599 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.685 HD11 ' HA ' ' A' ' 25' ' ' ALA . 72.0 mt -59.81 -40.79 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.155 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' C ' ' HD3' ' A' ' 43' ' ' LYS . 13.2 tmtt? -61.81 -54.22 45.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.542 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 41' ' ' HIS . 14.3 ptmm? -55.57 -41.72 73.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 0.0 111.499 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.69 -42.13 98.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.946 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.73 ' CE2' HD21 ' A' ' 85' ' ' LEU . 9.4 m-85 -73.72 -38.72 64.73 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.46 -20.33 62.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.182 0.515 . . . . 0.0 109.973 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -85.97 -44.05 12.68 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.451 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' O ' ' HD3' ' A' ' 49' ' ' LYS . 5.9 tmtm? -90.01 -47.53 7.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.314 -179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.543 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 53.6 m-85 -86.11 -17.2 35.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.06 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' ' 50' ' ' TYR . 3.9 m120 84.33 141.02 0.06 OUTLIER Pre-proline 0 CA--C 1.519 -0.239 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 53' ' ' THR . 8.9 Cg_endo -51.06 160.23 2.13 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.186 1.924 . . . . 0.0 112.439 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 88.1 m -121.58 133.48 55.0 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.012 0.525 . . . . 0.0 111.141 0.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.489 ' HA ' ' HA ' ' A' ' 87' ' ' LYS . 39.3 m95 -114.82 142.3 46.73 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.26 0.552 . . . . 0.0 112.261 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 88' ' ' SER . 9.7 m170 -110.57 127.18 55.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.732 ' C ' HD12 ' A' ' 57' ' ' ILE . 34.7 t -129.86 139.38 51.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.317 -178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.836 HG23 ' HB3' ' B' ' 64' ' ' SER . 1.5 mp -137.2 151.52 26.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.112 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' A' ' 82' ' ' ALA . 60.1 t -152.74 122.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.382 179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' B' ' 62' ' ' PHE . . . -159.24 158.58 29.64 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 119.736 -1.221 . . . . 0.0 113.851 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -67.59 -30.95 70.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.35 -0.425 . . . . 0.0 110.322 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.695 ' HA ' HG21 ' C' ' 9' ' ' THR . 0.0 OUTLIER -171.16 134.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.645 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.596 ' HE1' ' HB3' ' A' ' 82' ' ' ALA . 3.7 p90 179.2 -170.98 0.13 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.3 0.572 . . . . 0.0 111.416 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -162.5 142.52 7.99 Favored Glycine 0 N--CA 1.452 -0.3 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.916 ' HB3' HG23 ' B' ' 57' ' ' ILE . 73.7 p -155.02 146.81 23.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.558 0.679 . . . . 0.0 112.709 -178.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.469 ' CG ' ' HD3' ' B' ' 43' ' ' LYS . 1.3 t80 -106.11 125.61 51.21 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.749 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 30.8 m -153.32 147.17 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.48 ' HA ' ' HA ' ' C' ' 4' ' ' ASP . 90.0 m -109.16 132.48 54.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.044 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 87' ' ' LYS . 26.9 p80 -113.32 -173.14 2.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.117 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.28 -122.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.651 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.762 HG22 ' HG3' ' A' ' 71' ' ' LYS . 65.0 m -144.54 138.29 27.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.663 0.268 . . . . 0.0 110.315 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.762 ' HG3' HG22 ' A' ' 70' ' ' THR . 53.4 mtpt 63.58 17.34 10.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.934 0.397 . . . . 0.0 110.884 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.477 ' CD2' ' HD3' ' A' ' 87' ' ' LYS . 38.5 m80 -140.82 69.89 1.35 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.394 0.616 . . . . 0.0 109.835 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . 65.4 t80 -156.66 138.79 14.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.17 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.805 HD12 ' HB2' ' A' ' 18' ' ' GLN . 9.5 tt -168.71 147.45 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.219 0.533 . . . . 0.0 111.632 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.636 ' HD2' HD13 ' A' ' 84' ' ' LEU . 5.7 t80 -149.55 140.83 23.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.444 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' A' ' 22' ' ' VAL . 5.5 p90 -166.88 144.77 4.97 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.531 ' HE1' ' HH ' ' A' ' 75' ' ' TYR . 53.7 m-85 -90.16 122.45 33.12 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.291 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.9 ' O ' HG22 ' A' ' 81' ' ' VAL . 27.9 tp -116.18 125.32 52.13 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 80' ' ' GLN . . . 52.14 38.0 47.37 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.178 -1.011 . . . . 0.0 111.815 -179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 79' ' ' GLY . 72.9 mt-30 82.68 -26.8 0.13 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.906 0.482 . . . . 0.0 112.184 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.9 HG22 ' O ' ' A' ' 78' ' ' LEU . 12.6 m -79.93 133.94 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 121.002 0.429 . . . . 0.0 111.352 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.615 ' HB2' HG22 ' C' ' 9' ' ' THR . . . -76.56 142.4 40.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.637 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 29' ' ' LEU . 55.5 mt -140.16 103.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.11 0.481 . . . . 0.0 110.83 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.016 HD22 HG21 ' C' ' 7' ' ' THR . 41.7 tp -100.01 142.65 31.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.241 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.73 HD21 ' CE2' ' A' ' 46' ' ' PHE . 54.9 tp -147.99 132.81 17.99 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.724 178.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.749 ' CZ ' HG21 ' A' ' 66' ' ' VAL . 8.0 p90 -177.11 140.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 54' ' ' TRP . 56.6 mtpt -79.07 134.17 36.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.835 0.35 . . . . 0.0 110.309 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.48 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 25.0 m -154.62 43.45 0.5 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.185 0.517 . . . . 0.0 110.457 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.551 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mtp . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.784 0.326 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 27.5 p -177.92 46.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.53 135.71 57.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.014 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.644 ' HG2' HD11 ' B' ' 78' ' ' LEU . 17.1 ttm105 -177.02 130.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.432 ' C ' HD12 ' B' ' 78' ' ' LEU . 75.0 mmtt -158.67 132.21 7.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.82 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.59 147.75 47.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.606 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' B' ' 77' ' ' TYR . 58.1 t -156.82 66.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.878 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.57 ' HA ' ' CB ' ' B' ' 76' ' ' PHE . 61.0 mt -43.82 124.39 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.406 -178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -87.92 -40.91 13.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.48 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -174.84 144.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.456 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.635 ' HB2' HG13 ' B' ' 74' ' ' ILE . . . -154.82 138.51 16.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.143 0.497 . . . . 0.0 112.006 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -133.67 78.3 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.417 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' MET . . . . . 0.462 ' CE ' ' HG2' ' B' ' 17' ' ' MET . 11.8 ptm -175.49 165.32 3.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.136 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 48.1 t -45.23 136.14 5.35 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.607 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HA ' ' NE2' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -50.83 -46.62 60.08 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.67 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' B' ' 15' ' ' GLU . 95.6 mt-10 -62.04 -39.72 93.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.953 0.406 . . . . 0.0 110.673 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . 0.462 ' HG2' ' CE ' ' B' ' 13' ' ' MET . 31.1 ttm -65.91 -48.01 72.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.505 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.857 ' HB2' HD12 ' B' ' 74' ' ' ILE . 17.1 pt20 -67.09 -37.66 84.34 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.759 0.314 . . . . 0.0 110.559 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -66.16 -35.91 81.72 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.92 -39.44 85.44 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.295 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 51.0 m -63.02 -41.4 99.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.936 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.584 ' HA ' ' CZ ' ' B' ' 76' ' ' PHE . 92.8 t -57.43 -45.69 85.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.94 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -75.39 -35.08 61.13 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' CYS . . . . . 0.596 ' SG ' HG23 ' B' ' 42' ' ' ILE . 44.9 t -63.95 -33.09 74.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.725 179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.598 ' HB1' HG12 ' B' ' 83' ' ' ILE . . . -78.77 -46.79 18.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.151 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 89.9 m -56.35 -52.71 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.085 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -64.67 -37.43 87.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.222 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' B' ' 24' ' ' CYS . . . -59.46 -39.47 83.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.317 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.874 ' CD2' HD13 ' B' ' 38' ' ' ILE . 96.6 mt -70.01 -40.93 74.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.288 0.566 . . . . 0.0 109.944 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -59.49 -37.8 79.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.349 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.17 -49.97 8.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.051 0.453 . . . . 0.0 111.048 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.453 ' CG ' ' HB3' ' B' ' 37' ' ' ASP . 62.1 m-85 -107.19 136.11 47.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.162 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.547 ' O ' HD13 ' B' ' 34' ' ' ILE . 23.4 p30 -108.55 31.99 5.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.98 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.569 HG22 ' HG2' ' B' ' 36' ' ' LYS . 45.1 mm -153.34 126.65 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 CA-C-O 121.244 0.545 . . . . 0.0 109.722 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.684 ' HG3' HG12 ' B' ' 58' ' ' VAL . 0.3 OUTLIER -40.45 -39.79 1.08 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.191 -178.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.569 ' HG2' HG22 ' B' ' 34' ' ' ILE . 21.9 pttp -53.99 -51.64 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.453 ' HB3' ' CG ' ' B' ' 32' ' ' TYR . 66.7 m-20 -76.43 -36.57 57.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 0.0 110.509 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.874 HD13 ' CD2' ' B' ' 29' ' ' LEU . 77.6 mt -55.28 -52.13 48.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.426 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . 0.411 ' HB2' HG23 ' B' ' 58' ' ' VAL . . . -65.99 -52.45 49.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.149 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 65' ' ' TYR . . . -54.92 -34.21 62.91 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -68.69 -52.78 27.27 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.484 0.659 . . . . 0.0 109.942 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.596 HG23 ' SG ' ' B' ' 24' ' ' CYS . 68.7 mt -58.43 -44.65 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.923 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' B' ' 54' ' ' TRP . 49.1 tttm -55.68 -50.15 71.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.865 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.93 -44.91 87.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.728 0.299 . . . . 0.0 111.632 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.429 ' O ' ' HD3' ' B' ' 49' ' ' LYS . 65.9 mm-40 -60.37 -44.76 95.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.869 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.526 ' HB3' ' CD2' ' B' ' 54' ' ' TRP . 36.2 m-85 -72.85 -38.29 67.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.094 0.473 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -68.81 -31.52 70.57 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.219 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -89.57 -38.21 14.13 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' B' ' 49' ' ' LYS . 4.0 mptp? -87.71 -47.7 8.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' B' ' 51' ' ' ASN . 65.2 m-85 -90.27 3.89 52.28 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' B' ' 50' ' ' TYR . 3.9 m120 78.46 139.94 0.07 OUTLIER Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' B' ' 53' ' ' THR . 21.1 Cg_endo -61.36 161.58 23.18 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.718 1.612 . . . . 0.0 111.969 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 52' ' ' PRO . 89.4 m -121.42 134.11 55.09 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 123.094 0.558 . . . . 0.0 110.87 0.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TRP . . . . . 0.526 ' CD2' ' HB3' ' B' ' 46' ' ' PHE . 44.8 m95 -112.41 136.4 51.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.096 0.474 . . . . 0.0 111.982 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' B' ' 88' ' ' SER . 10.9 m170 -105.3 132.23 51.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' CYS . . . . . 0.401 ' SG ' ' HA ' ' B' ' 39' ' ' ALA . 26.7 t -129.47 145.66 51.41 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 119.945 -0.702 . . . . 0.0 112.099 -178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.916 HG23 ' HB3' ' A' ' 64' ' ' SER . 12.2 mt -141.81 152.93 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.954 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.684 HG12 ' HG3' ' B' ' 35' ' ' GLU . 40.5 t -151.89 135.78 8.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.669 ' HA2' ' HG2' ' B' ' 35' ' ' GLU . . . -172.37 155.09 22.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 119.54 -1.314 . . . . 0.0 113.943 -178.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -68.73 -32.65 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 109.87 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.502 ' HA ' HG21 ' D' ' 9' ' ' THR . 46.4 t30 -166.83 131.78 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.139 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' B' ' 61' ' ' ASN . 9.8 p90 178.35 144.79 0.12 Allowed 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 121.129 0.49 . . . . 0.0 112.106 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 36' ' ' LYS . . . -109.04 151.17 17.15 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.836 ' HB3' HG23 ' A' ' 57' ' ' ILE . 67.7 p -165.9 147.32 6.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.09 0.945 . . . . 0.0 113.201 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.418 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 5.2 t80 -109.72 131.01 55.46 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.853 HG21 ' CE2' ' B' ' 86' ' ' PHE . 27.7 m -155.08 149.92 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' THR . . . . . 0.646 HG23 ' C ' ' D' ' 3' ' ' CYS . 89.8 m -115.39 137.53 51.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.687 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' B' ' 87' ' ' LYS . 32.5 p80 -128.93 -169.85 2.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.147 -178.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.408 ' HA ' ' C ' ' D' ' 1' ' ' MET . 52.9 mt-10 -81.95 -125.65 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.191 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.768 HG22 ' HG3' ' B' ' 71' ' ' LYS . 89.2 m -146.62 140.56 26.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.697 0.284 . . . . 0.0 110.403 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.768 ' HG3' HG22 ' B' ' 70' ' ' THR . 53.5 mtpt 61.46 18.96 9.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.739 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' HIS . . . . . 0.436 ' HA ' ' HE3' ' B' ' 13' ' ' MET . 42.1 m80 -141.89 64.8 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.297 0.57 . . . . 0.0 109.8 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.492 ' HD1' ' HB3' ' B' ' 86' ' ' PHE . 2.6 t80 -154.43 139.27 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.758 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.857 HD12 ' HB2' ' B' ' 18' ' ' GLN . 6.7 tt -163.53 144.57 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.228 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.518 ' CG ' HD13 ' B' ' 84' ' ' LEU . 1.3 t80 -148.04 127.89 13.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.399 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' B' ' 22' ' ' VAL . 1.9 p90 -149.8 141.96 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.419 0.628 . . . . 0.0 112.308 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . 0.601 ' HD1' ' HB2' ' B' ' 82' ' ' ALA . 18.3 t80 -89.97 123.29 33.75 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.173 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.644 HD11 ' HG2' ' B' ' 4' ' ' ARG . 32.5 tp -120.43 120.43 35.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.993 0.425 . . . . 0.0 110.52 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . 51.76 -133.01 36.06 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.927 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -90.37 42.73 1.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.819 0.342 . . . . 0.0 110.606 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . 0.523 HG22 ' N ' ' B' ' 82' ' ' ALA . 4.8 p -167.88 159.13 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 121.471 0.653 . . . . 0.0 111.956 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.8 ' C ' HD12 ' B' ' 83' ' ' ILE . . . -116.61 148.12 41.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.823 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . 0.8 HD12 ' C ' ' B' ' 82' ' ' ALA . 2.4 mp -129.84 109.81 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.77 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LEU . . . . . 0.602 HD23 HD12 ' B' ' 57' ' ' ILE . 61.6 tp -103.65 140.7 37.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.567 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' B' ' 46' ' ' PHE . 65.6 tp -149.17 138.87 21.82 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.199 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.853 ' CE2' HG21 ' B' ' 66' ' ' VAL . 8.7 p90 -178.5 141.95 0.23 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.09 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' B' ' 68' ' ' HIS . 50.0 mtpt -81.05 133.53 35.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.006 0.431 . . . . 0.0 110.888 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . 0.488 ' HB3' ' CE1' ' B' ' 55' ' ' HIS . 40.9 t -153.31 44.78 0.63 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.258 0.551 . . . . 0.0 110.335 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.547 -179.837 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.44 ' HA ' ' OG1' ' A' ' 70' ' ' THR . 25.5 ptt? . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.776 0.322 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -66.42 -65.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.397 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p 174.73 145.6 0.06 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.0 0.429 . . . . 0.0 111.265 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ASP . . . . . 0.48 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 3.0 p30 -54.78 155.54 4.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.454 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -147.69 134.75 20.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.385 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -101.82 123.39 45.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.742 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 1.016 HG21 HD22 ' A' ' 84' ' ' LEU . 70.3 p -91.71 151.54 20.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' GLN . . . . . 0.408 ' CG ' ' HB3' ' B' ' 36' ' ' LYS . 3.9 tm0? -169.09 128.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.557 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' THR . . . . . 0.695 HG21 ' HA ' ' A' ' 61' ' ' ASN . 67.0 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.415 ' HA ' ' N ' ' B' ' 70' ' ' THR . 3.6 mpp? . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.732 0.301 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -169.09 112.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' CYS . . . . . 0.646 ' C ' HG23 ' B' ' 67' ' ' THR . 53.7 t -170.59 127.5 0.78 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.037 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ASP . . . . . 0.467 ' HA ' ' HA ' ' B' ' 67' ' ' THR . 2.9 p30 -75.99 149.74 37.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.626 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -162.66 129.5 3.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.982 0.42 . . . . 0.0 111.707 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -72.34 163.72 27.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.685 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' THR . . . . . 0.426 ' HG1' ' HG ' ' B' ' 64' ' ' SER . 69.1 p -157.32 137.62 12.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.382 . . . . 0.0 111.255 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLN . . . . . 0.407 ' NE2' ' HB2' ' A' ' 36' ' ' LYS . 51.6 tt0 -156.53 142.53 18.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.695 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' THR . . . . . 0.56 HG22 ' HB3' ' B' ' 82' ' ' ALA . 79.4 p . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 stop_ save_