data_2ju6_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 2ju6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -124.98 132.09 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -128.95 167.94 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . 0.454 ' NZ ' ' HB2' ' X' ' 15' ' ' GLU . 4.1 tttm -127.27 140.13 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.206 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.83 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.685 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 52.8 mt -107.61 106.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.806 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.469 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.3 OUTLIER -113.58 114.08 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -98.39 114.82 27.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.159 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -87.86 47.74 3.6 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.58 -56.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 0.0 109.883 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' THR . . . . . 0.667 ' N ' ' O ' ' X' ' 9' ' ' GLY . 9.8 p -111.95 2.8 17.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.183 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.601 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.1 OUTLIER -131.2 132.42 44.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 -179.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.436 ' N ' HD11 ' X' ' 12' ' ' LEU . 0.0 OUTLIER -131.97 139.48 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.108 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.92 141.79 7.74 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . 0.454 ' HB2' ' NZ ' ' X' ' 4' ' ' LYS . 1.3 pm0 -127.62 139.7 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.362 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' THR . . . . . 0.568 ' HG1' ' N ' ' X' ' 17' ' ' THR . 1.3 t -143.15 161.16 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' THR . . . . . 0.568 ' N ' ' HG1' ' X' ' 16' ' ' THR . 4.2 p -128.32 139.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -144.06 144.57 31.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.48 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 22.3 mp0 -108.24 110.11 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.611 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 174.16 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 t -117.11 1.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.33 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 1.2 p-10 -137.66 74.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.88 75.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.607 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 25' ' ' THR . . . . . 0.463 ' OG1' ' OD2' ' X' ' 22' ' ' ASP . 30.5 p -75.11 -45.3 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.96 97.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -58.53 -41.93 86.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -45.58 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.988 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 26.8 t -63.21 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.793 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -36.48 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.163 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -62.59 -50.82 69.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -65.81 -33.9 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -72.46 -44.33 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.595 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . 0.479 ' C ' HD21 ' X' ' 35' ' ' ASN . 0.2 OUTLIER -57.99 -42.27 84.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.168 179.523 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . 0.577 ' O ' ' OD1' ' X' ' 36' ' ' ASP . 38.6 t0 -66.42 -27.35 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.362 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.79 -1.26 57.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.247 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.49 23.28 21.98 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.03 108.97 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.533 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.39 167.35 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . 0.507 ' C ' ' OE1' ' X' ' 42' ' ' GLU . . . 147.99 -150.0 22.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . 0.507 ' OE1' ' C ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -111.42 116.39 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.478 ' CD1' ' CG1' ' X' ' 54' ' ' VAL . 0.0 OUTLIER -104.82 150.04 25.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.33 169.12 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -113.98 104.95 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.763 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.66 122.43 36.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.268 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -92.47 -32.29 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.02 -27.45 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.665 ' O ' ' N ' ' X' ' 51' ' ' THR . 48.6 p -119.25 7.19 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.991 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' X' ' 49' ' ' THR . 0.0 OUTLIER 30.76 31.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.521 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.665 ' N ' ' O ' ' X' ' 49' ' ' THR . 1.2 t -118.63 147.46 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -112.15 146.01 38.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -136.91 141.64 42.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.478 ' CG1' ' CD1' ' X' ' 43' ' ' TRP . 0.9 OUTLIER -135.45 124.81 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.081 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 55' ' ' THR . . . . . 0.468 ' H ' ' H ' ' X' ' 42' ' ' GLU . 67.1 m -124.1 115.46 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.062 0.458 . . . . 0.0 111.346 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.61 179.504 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.74 ' H3 ' ' CB ' ' X' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.455 ' H ' ' CG ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -126.61 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.26 169.04 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -126.75 141.45 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.21 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.09 104.83 7.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 74.6 mt -109.79 110.93 33.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.799 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.706 ' CD2' ' N ' ' X' ' 7' ' ' LEU . 0.0 OUTLIER -92.69 106.32 18.32 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' X' ' 54' ' ' VAL . 29.4 t30 -87.35 114.06 23.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.453 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . 0.696 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -109.02 146.44 16.65 Favored Glycine 0 C--N 1.321 -0.3 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' X' ' 9' ' ' GLY . 12.2 tttt -32.35 -64.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.95 8.5 20.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.1 OUTLIER -132.59 128.24 36.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.842 -179.239 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.448 ' N ' HD13 ' X' ' 12' ' ' LEU . 0.0 OUTLIER -142.5 142.76 32.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.744 179.048 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.75 173.56 35.09 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.452 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.16 146.49 48.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.698 0.285 . . . . 0.0 110.346 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.56 163.21 31.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.675 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.58 136.95 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 21.1 p -147.9 153.88 39.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.616 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . 0.592 ' CD ' ' H ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -103.95 137.94 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . 0.74 ' CB ' ' H3 ' ' X' ' 1' ' ' MET . . . -95.36 162.75 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 0.0 111.7 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' X' ' 20' ' ' ALA . 1.4 t 153.54 -7.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.585 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.0 39.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.411 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -52.45 -25.2 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.149 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.67 89.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.201 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -76.24 -44.96 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.833 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.23 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.221 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 10.7 tp10 -60.38 -33.96 73.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.171 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -63.1 -46.3 88.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -40.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.994 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.19 -34.62 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -58.78 -49.55 77.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.007 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -33.94 72.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.303 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -39.33 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' X' ' 39' ' ' VAL . . . -69.11 -45.79 69.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.036 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -64.65 -43.64 92.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.238 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -66.43 -28.11 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.65 0.04 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.511 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.36 9.97 58.65 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.695 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' X' ' 34' ' ' ALA . 13.9 t -88.39 108.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.101 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.55 160.13 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.42 . . . . 0.0 110.964 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' X' ' 55' ' ' THR . . . 150.75 -149.25 21.07 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . 0.514 ' H ' ' H ' ' X' ' 55' ' ' THR . 1.9 mm-40 -117.08 116.47 27.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.578 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -111.91 148.31 33.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.301 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 44' ' ' THR . . . . . 0.462 ' HG1' ' H ' ' X' ' 45' ' ' TYR . 8.8 t -157.07 169.32 25.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.477 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.462 ' H ' ' HG1' ' X' ' 44' ' ' THR . 13.1 m-85 -91.46 101.91 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.159 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . 0.559 ' OD1' ' OG1' ' X' ' 49' ' ' THR . 0.4 OUTLIER -104.67 117.07 33.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.731 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.98 -26.12 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -36.9 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.559 ' OG1' ' OD1' ' X' ' 46' ' ' ASP . 63.4 p -116.64 -0.38 12.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.107 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mttp 47.08 47.99 15.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.519 ' CG2' ' HG1' ' X' ' 49' ' ' THR . 10.6 t -148.07 151.56 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.435 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -105.4 137.13 43.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.391 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 24.5 m -130.29 138.58 50.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' X' ' 8' ' ' ASN . 4.6 t -127.96 124.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.388 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 55' ' ' THR . . . . . 0.557 ' O ' ' C ' ' X' ' 56' ' ' GLU . 21.8 m -124.78 116.96 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . 0.608 ' OE1' ' N ' ' X' ' 56' ' ' GLU . 5.0 pm0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.65 ' OE1' ' NZ ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -104.41 131.82 51.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.378 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.501 ' OH ' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -144.32 140.73 29.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.068 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . 0.65 ' NZ ' ' OE1' ' X' ' 2' ' ' GLN . 8.5 mtmm -131.77 141.51 49.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -128.59 103.39 7.07 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 tt -115.75 107.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.599 ' N ' ' CD1' ' X' ' 7' ' ' LEU . 0.1 OUTLIER -104.88 105.91 16.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.133 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -113.8 112.64 23.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.95 -144.33 6.0 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.663 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -55.15 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.643 0.259 . . . . 0.0 110.778 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 2.3 p -111.7 8.27 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -112.46 114.08 26.59 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -144.46 138.95 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.246 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.9 172.31 42.6 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -135.31 139.31 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -146.05 169.23 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.88 143.94 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.7 139.15 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.384 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' X' ' 19' ' ' GLU . 14.7 mp0 -111.84 105.44 13.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.6 157.17 40.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.47 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.13 6.84 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.395 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.07 58.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' X' ' 27' ' ' GLU . . . -72.14 -28.55 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.35 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.445 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 3.0 p -75.41 -43.72 48.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.2 96.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.018 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' X' ' 23' ' ' ALA . 40.6 mt-10 -57.44 -43.4 83.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -68.23 -46.38 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.722 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . 0.431 ' H ' HG11 ' X' ' 29' ' ' VAL . 2.8 p -68.14 -44.49 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' X' ' 34' ' ' ALA . 0.2 OUTLIER -62.78 -36.61 83.68 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.025 -179.364 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' X' ' 35' ' ' ASN . 1.8 mttt -58.08 -45.83 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.68 -49.6 25.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.21 -44.63 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.849 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' X' ' 30' ' ' PHE . . . -64.73 -41.52 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . 0.541 ' CG ' ' O ' ' X' ' 31' ' ' LYS . 8.6 m120 -62.91 -39.52 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.4 -26.87 68.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.431 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -85.95 -6.22 59.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.842 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.57 20.73 28.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.511 ' O ' ' ND2' ' X' ' 35' ' ' ASN . 53.7 t -86.4 108.51 17.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.339 -0.545 . . . . 0.0 109.769 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 167.4 16.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 0.0 111.158 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.08 -157.85 27.25 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . 0.449 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.7 tt0 -109.69 116.38 31.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -104.42 149.63 25.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -178.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 44' ' ' THR . . . . . 0.437 ' O ' ' CE2' ' X' ' 52' ' ' PHE . 0.3 OUTLIER -151.29 169.4 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.36 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 101.57 10.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.656 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.7 141.27 29.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.406 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.47 -31.09 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.64 65.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.456 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -2.64 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.32 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mttp 53.01 57.12 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 2.9 t -143.9 150.27 38.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' OH ' ' X' ' 3' ' ' TYR . 0.2 OUTLIER -107.12 134.51 50.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.159 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.57 137.09 55.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 111.389 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.08 123.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.845 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 55' ' ' THR . . . . . 0.449 ' H ' ' H ' ' X' ' 42' ' ' GLU . 58.0 m -124.94 114.66 19.45 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.466 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' X' ' 55' ' ' THR . 2.3 tp10 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.68 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.621 ' CG ' ' H ' ' X' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.621 ' H ' ' CG ' ' X' ' 1' ' ' MET . 1.9 mt-30 -126.78 123.01 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -135.88 148.38 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.552 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -133.9 142.97 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.229 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.98 105.21 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.169 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -102.04 106.83 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.915 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.467 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.2 OUTLIER -113.44 124.7 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.613 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.565 HD21 ' H ' ' X' ' 10' ' ' LYS . 1.7 t30 -103.83 114.28 28.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -83.66 45.64 3.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.565 ' H ' HD21 ' X' ' 8' ' ' ASN . 5.7 ttpm? 62.46 -55.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.269 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' THR . . . . . 0.623 ' N ' ' O ' ' X' ' 9' ' ' GLY . 7.9 t -112.24 5.76 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' X' ' 9' ' ' GLY . 16.0 tp -138.39 146.39 42.18 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -135.06 148.04 49.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.671 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.98 160.43 28.14 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.796 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' X' ' 16' ' ' THR . 0.5 OUTLIER -138.72 138.55 37.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' THR . . . . . 0.544 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 2.8 t -144.17 166.34 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 111.023 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.92 132.08 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.388 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -154.61 146.07 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.614 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -110.83 113.74 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.32 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' X' ' 1' ' ' MET . . . -141.39 167.55 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.811 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' X' ' 21' ' ' VAL . 14.5 p -129.11 14.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.395 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' X' ' 26' ' ' ALA . 0.5 OUTLIER -116.31 78.01 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.72 -45.59 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.796 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.07 94.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 25' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' X' ' 29' ' ' VAL . 0.2 OUTLIER -76.11 -42.46 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.198 -179.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' X' ' 22' ' ' ASP . . . -66.12 -42.45 89.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.839 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.543 ' CD ' ' N ' ' X' ' 28' ' ' LYS . 1.9 pp20? -57.28 -45.12 84.4 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.227 -178.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' X' ' 27' ' ' GLU . 11.8 tttt -69.3 -41.12 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.442 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' X' ' 25' ' ' THR . 40.6 t -68.63 -39.33 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.531 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -35.21 75.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.598 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -31.22 71.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.434 . . . . 0.0 109.969 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.07 -49.36 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.39 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 0.0 OUTLIER -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.294 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' X' ' 39' ' ' VAL . . . -61.71 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.24 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -45.78 86.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.145 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.4 -28.41 68.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -9.35 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.709 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.41 17.77 63.68 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.193 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' X' ' 34' ' ' ALA . 5.1 m -99.44 109.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.037 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -126.05 167.94 14.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.218 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.73 -153.82 24.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . 0.521 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.9 mt-10 -96.26 116.04 28.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.8 149.54 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.348 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.5 138.71 20.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.621 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 102.53 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.056 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.65 119.88 38.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.193 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -23.59 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.692 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.65 -33.02 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.459 ' O ' ' C ' ' X' ' 50' ' ' LYS . 2.1 p -119.68 9.46 11.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' X' ' 49' ' ' THR . 9.8 mttt 34.48 56.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 38.3 m -137.94 135.39 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 111.046 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.88 148.23 29.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.056 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -143.51 135.8 27.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.066 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' X' ' 42' ' ' GLU . 6.6 t -135.92 123.76 35.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.453 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 55' ' ' THR . . . . . 0.572 ' O ' ' C ' ' X' ' 56' ' ' GLU . 3.2 m -125.0 115.6 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.689 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . 0.572 ' C ' ' O ' ' X' ' 55' ' ' THR . 1.9 pp20? . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.932 -1.032 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttm . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.76 129.21 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.115 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -138.14 141.19 40.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.295 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . 0.644 ' O ' ' N ' ' X' ' 52' ' ' PHE . 0.4 OUTLIER -121.97 134.02 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.213 179.09 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -131.39 105.75 7.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.811 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.421 ' H ' HG12 ' X' ' 6' ' ' ILE . 1.5 pt -109.16 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.501 HD21 ' H ' ' X' ' 7' ' ' LEU . 0.2 OUTLIER -114.32 130.66 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.364 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' X' ' 10' ' ' LYS . 0.5 OUTLIER -109.77 114.17 27.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.97 178.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' X' ' 10' ' ' LYS . . . -78.07 32.83 1.74 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' X' ' 9' ' ' GLY . 1.8 tttp 91.5 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.935 0.398 . . . . 0.0 110.45 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -111.86 -6.52 14.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.97 125.64 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.74 149.29 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.412 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.45 -179.54 30.65 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -130.02 139.22 51.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.599 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.5 147.97 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -132.76 132.85 42.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.652 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -144.45 134.78 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . 0.641 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -118.42 105.91 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.4 175.11 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.38 42.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.047 0.451 . . . . 0.0 110.315 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.47 13.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.848 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -52.85 -22.32 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.87 79.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.634 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 16.5 p -74.66 -47.03 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.095 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.73 -41.31 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.851 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.671 ' O ' ' NZ ' ' X' ' 31' ' ' LYS . 3.8 mm-40 -57.88 -37.96 74.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -60.45 -35.85 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.36 -41.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.38 -29.45 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.671 ' NZ ' ' O ' ' X' ' 27' ' ' GLU . 27.5 mmtm -73.04 -35.87 66.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -63.29 -42.99 99.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.86 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.0 -37.46 78.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.02 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.477 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.94 -46.99 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.89 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -25.43 67.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.954 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -85.91 -6.72 59.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.037 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.22 22.92 23.65 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 66.1 t -87.82 108.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.447 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -127.0 167.51 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.02 -179.61 32.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 4.1 pt-20 -88.05 116.87 26.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.441 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.488 ' CH2' ' HD2' ' X' ' 31' ' ' LYS . 87.2 m95 -102.2 148.15 25.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.6 t -156.2 169.51 24.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.752 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.479 ' HA ' ' CZ ' ' X' ' 52' ' ' PHE . 15.7 m-85 -113.36 102.34 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.41 146.65 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -129.03 -36.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.45 -36.66 61.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.407 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER -119.56 6.36 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.345 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' X' ' 49' ' ' THR . 11.0 mtmm 39.08 59.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.418 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -148.29 136.82 21.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.785 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.644 ' N ' ' O ' ' X' ' 4' ' ' LYS . 3.7 m-30 -106.25 141.63 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.57 141.6 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.178 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.481 HG13 ' CE2' ' X' ' 43' ' ' TRP . 1.4 m -147.5 123.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 55' ' ' THR . . . . . 0.623 ' O ' ' C ' ' X' ' 56' ' ' GLU . 0.2 OUTLIER -125.56 116.77 22.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.565 179.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' X' ' 55' ' ' THR . 42.6 tp10 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.014 -0.994 . . . . 0.0 111.346 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 33.6 mtt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.405 HE21 ' C ' ' X' ' 3' ' ' TYR . 3.5 tm0? -96.14 140.91 30.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.512 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.405 ' C ' HE21 ' X' ' 2' ' ' GLN . 25.9 p90 -144.11 167.87 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.51 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -127.04 139.51 52.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.861 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.53 105.1 14.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.99 110.61 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' X' ' 54' ' ' VAL . 0.5 OUTLIER -107.54 105.38 15.25 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.361 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' X' ' 8' ' ' ASN . 0.6 OUTLIER -117.73 112.23 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.22 -154.44 6.51 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.633 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.462 ' HB2' ' HZ1' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -53.16 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 110.236 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 6.5 m -111.71 6.8 20.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.493 ' CD1' ' N ' ' X' ' 12' ' ' LEU . 7.5 mp -103.61 121.81 43.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -142.72 139.2 31.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.34 152.8 21.27 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -140.94 138.49 33.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.504 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -142.9 166.31 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.444 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 132.83 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.771 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -150.46 138.24 19.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -112.34 119.54 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.638 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.13 169.93 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 35.5 m -107.58 19.51 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -159.79 59.17 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' X' ' 27' ' ' GLU . . . -73.22 -25.05 60.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 3.8 m -74.56 -45.81 43.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' X' ' 23' ' ' ALA . 18.3 mm-40 -57.68 -39.63 77.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -63.7 -46.68 84.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -68.77 -41.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.582 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.52 -29.34 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.004 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.75 -51.3 67.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.045 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -63.97 -34.48 78.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.974 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.4 -34.81 68.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.092 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.33 -42.51 68.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -27.39 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.049 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.86 -33.7 74.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.044 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' X' ' 37' ' ' ASN . 10.2 t-20 -89.5 -1.85 58.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.749 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . 0.489 ' O ' ' OD1' ' X' ' 40' ' ' ASP . . . 94.77 23.63 20.22 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.53 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 t -86.92 108.54 18.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.303 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . 0.587 ' OD2' ' OE1' ' X' ' 56' ' ' GLU . 0.0 OUTLIER -126.17 168.43 14.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.15 -173.28 25.65 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' X' ' 53' ' ' THR . 27.8 tt0 -96.16 121.65 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.558 ' NE1' ' CG1' ' X' ' 54' ' ' VAL . 15.0 m95 -103.14 148.1 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 0.0 110.991 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.05 137.84 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.898 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . 0.768 ' CD1' ' N ' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -90.64 101.73 14.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.146 179.677 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -103.2 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.04 -24.07 20.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.38 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.476 ' O ' ' OG1' ' X' ' 51' ' ' THR . 72.0 p -118.84 6.52 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.203 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.7 mttm 36.18 49.64 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.419 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' X' ' 49' ' ' THR . 11.5 m -141.38 142.02 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.841 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -107.02 139.84 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.022 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.435 ' O ' ' O ' ' X' ' 42' ' ' GLU . 0.6 OUTLIER -133.35 131.22 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.558 ' CG1' ' NE1' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -128.77 123.55 59.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.444 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p -125.48 115.54 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.389 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . 0.587 ' OE1' ' OD2' ' X' ' 40' ' ' ASP . 2.4 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.348 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.733 HE21 ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -122.22 129.22 52.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.496 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.733 ' N ' HE21 ' X' ' 2' ' ' GLN . 96.7 m-85 -133.39 165.86 23.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.317 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -133.67 131.82 39.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -114.4 103.72 11.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.043 179.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' X' ' 53' ' ' THR . 8.1 mt -102.05 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.417 ' CB ' ' HB ' ' X' ' 54' ' ' VAL . 0.2 OUTLIER -98.43 107.06 19.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.797 -179.249 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.612 HD22 ' CD ' ' X' ' 13' ' ' LYS . 0.3 OUTLIER -92.35 112.99 25.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -98.66 161.67 20.4 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' X' ' 9' ' ' GLY . 1.2 tttt -39.02 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' THR . . . . . 0.441 ' N ' ' HG2' ' X' ' 10' ' ' LYS . 8.6 t -112.18 7.82 19.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.607 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.8 OUTLIER -132.27 139.25 48.18 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.464 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.612 ' CD ' HD22 ' X' ' 8' ' ' ASN . 5.5 mtmp? -136.38 156.37 48.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.809 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.41 138.52 5.49 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.387 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . 0.551 ' OE2' ' O ' ' X' ' 15' ' ' GLU . 0.7 OUTLIER -133.46 138.7 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.135 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.25 175.73 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.68 134.78 48.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.212 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.45 148.11 29.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.73 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.92 110.59 20.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.24 157.45 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.69 22.8 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.448 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.86 41.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -53.96 -23.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.634 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.52 88.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.32 -46.44 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.33 84.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 16.1 tp10 -60.28 -39.87 88.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -39.64 89.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 109.966 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 19.8 t -67.26 -41.51 86.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.81 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' X' ' 34' ' ' ALA . 1.4 m-85 -63.35 -26.36 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -56.77 -30.87 64.05 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -69.78 -45.01 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -35.6 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.815 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' X' ' 30' ' ' PHE . . . -63.03 -46.28 88.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -56.79 -46.05 81.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.949 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.31 -24.19 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.7 -5.59 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 19.75 31.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 56.2 t -105.16 108.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.533 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' X' ' 41' ' ' GLY . 45.6 t0 -127.19 163.44 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.204 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' X' ' 40' ' ' ASP . . . 147.94 -157.1 27.22 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 9.4 mt-10 -118.8 122.49 42.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.771 0.32 . . . . 0.0 110.153 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' X' ' 43' ' ' TRP . 8.9 m95 -102.73 149.25 24.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.43 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.59 162.35 39.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -120.21 105.7 11.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' X' ' 51' ' ' THR . 0.4 OUTLIER -96.28 165.94 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.649 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -12.71 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.44 39.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.591 ' O ' ' N ' ' X' ' 51' ' ' THR . 26.3 p -119.25 12.81 12.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.2 mttm 29.56 36.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.538 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.591 ' N ' ' O ' ' X' ' 49' ' ' THR . 6.6 t -130.11 150.8 51.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 1.2 m-85 -107.55 142.54 37.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.232 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' X' ' 6' ' ' ILE . 75.9 p -128.29 152.12 48.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.431 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.47 HG13 ' CE2' ' X' ' 43' ' ' TRP . 19.7 t -135.35 124.36 40.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.659 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 55' ' ' THR . . . . . 0.55 ' O ' ' C ' ' X' ' 56' ' ' GLU . 8.8 m -124.76 114.63 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.661 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' X' ' 55' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.944 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -126.24 130.23 50.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.395 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.04 162.04 37.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -130.51 144.09 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.387 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.35 105.27 11.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.454 HG22 HD11 ' X' ' 6' ' ' ILE . 3.1 mm -101.81 121.92 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.62 107.46 16.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.96 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.95 114.49 28.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.223 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.57 40.89 2.89 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt 71.5 -58.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 43.1 p -112.42 1.94 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.754 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mp -125.34 151.1 46.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.38 . . . . 0.0 111.028 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.479 ' HZ1' ' CB ' ' X' ' 13' ' ' LYS . 9.1 mtmp? -141.3 154.32 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.228 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.42 166.01 31.56 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -140.67 139.57 34.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.85 176.62 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.94 137.81 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -155.16 154.33 32.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . 0.646 ' N ' ' OE1' ' X' ' 19' ' ' GLU . 34.4 mp0 -103.98 138.97 39.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.992 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 147.72 22.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.342 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -178.5 -10.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.757 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.02 42.04 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.94 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.97 20.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.314 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.59 87.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.785 0.326 . . . . 0.0 110.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 25' ' ' THR . . . . . 0.464 ' HG1' ' H ' ' X' ' 26' ' ' ALA . 39.8 p -75.9 -45.89 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . 0.464 ' H ' ' HG1' ' X' ' 25' ' ' THR . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.429 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -57.37 -25.39 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.152 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -63.25 -47.73 81.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.1 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . 0.462 HG22 ' N ' ' X' ' 30' ' ' PHE . 0.9 OUTLIER -70.0 -41.69 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.406 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.462 ' N ' HG22 ' X' ' 29' ' ' VAL . 0.1 OUTLIER -64.69 -35.11 79.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.136 -179.399 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.956 0.408 . . . . 0.0 109.901 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.29 98.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.621 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -44.81 95.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.749 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.86 99.96 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -43.68 96.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.649 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -29.43 64.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.753 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -89.75 -6.78 55.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.92 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.15 16.09 58.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 71.9 t -88.09 107.57 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.295 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.47 167.74 15.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.626 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . 0.654 ' O ' ' CE2' ' X' ' 43' ' ' TRP . . . 154.03 -170.79 32.65 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.96 116.45 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.654 ' CE2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.65 148.32 26.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.502 . . . . 0.0 111.323 -178.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.12 165.74 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.922 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -106.21 106.87 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.95 131.61 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -46.55 4.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 -28.63 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.673 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.522 ' O ' ' C ' ' X' ' 50' ' ' LYS . 12.4 p -117.48 8.48 12.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.4 mtmt 28.49 50.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 21.5 m -135.92 145.4 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -117.66 132.8 56.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.543 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -139.39 157.66 45.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.915 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.541 ' CG1' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -147.3 124.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.948 179.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 55' ' ' THR . . . . . 0.551 ' O ' ' C ' ' X' ' 56' ' ' GLU . 2.7 m -122.9 115.56 22.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . 0.551 ' C ' ' O ' ' X' ' 55' ' ' THR . 6.9 tt0 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.494 ' C ' ' CD1' ' X' ' 3' ' ' TYR . 8.2 tt0 -125.96 132.16 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' X' ' 2' ' ' GLN . 0.2 OUTLIER -143.02 167.87 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 111.024 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -137.95 143.14 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.91 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.653 ' CD2' ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -118.32 108.68 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.897 -179.457 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' X' ' 53' ' ' THR . 37.2 mt -101.36 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.868 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 pp -110.6 121.37 45.14 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.068 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -105.23 114.46 28.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . 0.664 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -85.89 48.52 3.98 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 -56.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 109.812 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' THR . . . . . 0.664 ' N ' ' O ' ' X' ' 9' ' ' GLY . 0.0 OUTLIER -112.26 3.38 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.563 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.3 OUTLIER -131.86 143.17 49.97 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.462 ' H ' HD13 ' X' ' 12' ' ' LEU . 31.2 mtmm -131.57 146.02 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.289 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.65 143.32 8.24 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -131.77 152.41 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.03 170.26 16.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -143.31 134.97 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 11.2 m -148.03 146.08 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -113.98 108.87 17.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 162.99 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.651 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.63 40.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 12.7 p-10 -174.31 53.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.164 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.32 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.56 89.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -75.41 -44.61 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.47 90.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.89 -46.88 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.93 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . 0.433 ' HZ3' ' HB2' ' X' ' 28' ' ' LYS . 1.6 ttmp? -64.48 -42.22 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.96 -41.98 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.988 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.42 -38.17 89.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.002 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.439 ' NZ ' HG12 ' X' ' 54' ' ' VAL . 1.9 mmpt? -61.34 -39.49 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.55 -44.57 89.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.33 73.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -61.86 -42.63 99.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.592 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.777 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.7 -3.68 58.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.781 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.42 18.79 34.64 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.535 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 85.2 t -89.57 108.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.195 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . 0.557 ' CG ' ' N ' ' X' ' 41' ' ' GLY . 0.5 OUTLIER -126.62 167.5 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.691 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . 0.662 ' O ' ' CZ2' ' X' ' 43' ' ' TRP . . . 157.73 -162.89 32.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 0.7 OUTLIER -102.75 115.85 31.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.095 179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.662 ' CZ2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.87 149.59 25.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -155.45 166.83 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.635 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.29 102.61 14.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.635 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' X' ' 46' ' ' ASP . 0.9 OUTLIER -105.39 125.53 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.362 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -111.17 -29.46 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.762 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.06 -20.27 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 49' ' ' THR . . . . . 0.608 ' O ' ' N ' ' X' ' 51' ' ' THR . 67.6 p -104.8 6.48 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.754 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 40.06 18.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 51' ' ' THR . . . . . 0.608 ' N ' ' O ' ' X' ' 49' ' ' THR . 9.2 t -148.33 144.94 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.741 ' CD1' ' N ' ' X' ' 53' ' ' THR . 0.0 OUTLIER -109.55 161.25 15.53 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.741 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 9.3 t -144.59 153.42 41.77 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.877 -0.729 . . . . 0.0 112.335 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.439 HG12 ' NZ ' ' X' ' 31' ' ' LYS . 2.2 p -142.08 123.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.253 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 55' ' ' THR . . . . . 0.546 ' O ' ' C ' ' X' ' 56' ' ' GLU . 10.3 m -124.65 115.47 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.077 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' X' ' 55' ' ' THR . 11.5 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 1' ' ' MET . . . . . 0.559 ' CG ' ' N ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 2' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' X' ' 1' ' ' MET . 9.8 mt-30 -102.15 136.24 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.405 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -130.99 165.78 22.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' X' ' 52' ' ' PHE . 4.8 mttm -128.75 138.63 52.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.779 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -122.77 119.68 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.593 -179.723 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.5 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.87 123.55 48.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.257 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.59 114.49 28.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.767 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 9' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -81.6 28.4 3.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' LYS . . . . . 0.461 ' CG ' ' C ' ' X' ' 9' ' ' GLY . 3.7 mtmm 76.15 -58.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 109.977 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -111.67 -3.57 14.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' X' ' 9' ' ' GLY . 4.9 mt -138.63 151.1 46.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.586 ' CB ' ' HZ2' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -132.64 151.23 52.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.77 158.74 29.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' GLU . . . . . 0.571 ' CD ' ' N ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -137.04 144.38 43.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.533 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.68 170.15 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.561 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -126.31 151.79 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -155.1 142.73 19.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 110.974 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.0 105.67 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.219 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.06 176.17 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' VAL . . . . . 0.555 ' O ' ' OD1' ' X' ' 22' ' ' ASP . 3.1 m -94.99 8.91 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' X' ' 21' ' ' VAL . 34.6 m-20 -178.61 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.81 63.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.142 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.37 88.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -44.08 64.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.033 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.79 88.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.63 -28.81 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.729 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -60.39 -46.33 90.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 29' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' X' ' 30' ' ' PHE . 0.6 OUTLIER -66.09 -41.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.27 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 30' ' ' PHE . . . . . 0.473 ' N ' ' CG2' ' X' ' 29' ' ' VAL . 0.2 OUTLIER -65.05 -34.05 77.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.715 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 31' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' X' ' 35' ' ' ASN . 0.0 OUTLIER -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.0 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.119 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.86 -38.49 88.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.149 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.14 -37.66 72.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 35' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' X' ' 31' ' ' LYS . 6.0 t-20 -56.67 -36.81 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.803 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -26.28 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.813 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -87.37 -7.84 57.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.957 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.19 23.32 22.59 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.817 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.53 108.68 14.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.066 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 40' ' ' ASP . . . . . 0.572 ' O ' ' OXT' ' X' ' 56' ' ' GLU . 0.3 OUTLIER -126.32 167.14 15.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.207 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 41' ' ' GLY . . . . . 0.557 ' O ' ' CZ2' ' X' ' 43' ' ' TRP . . . 143.37 -171.9 24.97 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 42' ' ' GLU . . . . . 0.499 ' O ' ' O ' ' X' ' 53' ' ' THR . 3.2 tt0 -96.57 115.68 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.784 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 43' ' ' TRP . . . . . 0.583 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -106.66 149.71 26.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.701 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -156.56 164.92 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.083 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 101.61 10.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -115.03 144.06 44.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.05 -25.21 4.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.38 -31.59 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -3.32 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 53.14 45.6 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -148.65 146.12 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.465 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 52' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' X' ' 4' ' ' LYS . 5.9 m-85 -107.89 154.41 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 53' ' ' THR . . . . . 0.499 ' O ' ' O ' ' X' ' 42' ' ' GLU . 4.6 m -143.49 143.04 31.4 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 112.186 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 54' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' X' ' 43' ' ' TRP . 2.3 t -135.24 122.43 35.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.928 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 55' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' X' ' 56' ' ' GLU . 45.1 m -125.52 114.61 19.01 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.194 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 56' ' ' GLU . . . . . 0.636 ' CB ' ' O ' ' X' ' 55' ' ' THR . 7.5 tp10 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.995 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -124.98 132.09 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -128.95 167.94 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.454 ' NZ ' ' HB2' ' X' ' 15' ' ' GLU . 4.1 tttm -127.27 140.13 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.206 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.83 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.685 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 52.8 mt -107.61 106.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.806 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.469 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.3 OUTLIER -113.58 114.08 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -98.39 114.82 27.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.159 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -87.86 47.74 3.6 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.58 -56.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 0.0 109.883 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' THR . . . . . 0.667 ' N ' ' O ' ' X' ' 9' ' ' GLY . 9.8 p -111.95 2.8 17.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.183 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.601 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.1 OUTLIER -131.2 132.42 44.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 -179.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.436 ' N ' HD11 ' X' ' 12' ' ' LEU . 0.0 OUTLIER -131.97 139.48 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.108 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.92 141.79 7.74 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . 0.454 ' HB2' ' NZ ' ' X' ' 4' ' ' LYS . 1.3 pm0 -127.62 139.7 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.362 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' THR . . . . . 0.568 ' HG1' ' N ' ' X' ' 17' ' ' THR . 1.3 t -143.15 161.16 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' THR . . . . . 0.568 ' N ' ' HG1' ' X' ' 16' ' ' THR . 4.2 p -128.32 139.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -144.06 144.57 31.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.48 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 22.3 mp0 -108.24 110.11 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.611 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 174.16 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 17.0 t -117.11 1.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.33 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 1.2 p-10 -137.66 74.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.88 75.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.607 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' THR . . . . . 0.463 ' OG1' ' OD2' ' X' ' 22' ' ' ASP . 30.5 p -75.11 -45.3 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.96 97.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -58.53 -41.93 86.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -45.58 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.988 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 26.8 t -63.21 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.793 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -36.48 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.163 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -62.59 -50.82 69.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -65.81 -33.9 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -72.46 -44.33 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.595 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . 0.479 ' C ' HD21 ' X' ' 35' ' ' ASN . 0.2 OUTLIER -57.99 -42.27 84.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.168 179.523 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . 0.577 ' O ' ' OD1' ' X' ' 36' ' ' ASP . 38.6 t0 -66.42 -27.35 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.362 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.79 -1.26 57.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.247 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.49 23.28 21.98 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.03 108.97 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.533 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.39 167.35 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . 0.507 ' C ' ' OE1' ' X' ' 42' ' ' GLU . . . 147.99 -150.0 22.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . 0.507 ' OE1' ' C ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -111.42 116.39 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.478 ' CD1' ' CG1' ' X' ' 54' ' ' VAL . 0.0 OUTLIER -104.82 150.04 25.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.33 169.12 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -113.98 104.95 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.763 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.66 122.43 36.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.268 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -92.47 -32.29 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.02 -27.45 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.665 ' O ' ' N ' ' X' ' 51' ' ' THR . 48.6 p -119.25 7.19 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.991 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' X' ' 49' ' ' THR . 0.0 OUTLIER 30.76 31.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.521 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.665 ' N ' ' O ' ' X' ' 49' ' ' THR . 1.2 t -118.63 147.46 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -112.15 146.01 38.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -136.91 141.64 42.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.478 ' CG1' ' CD1' ' X' ' 43' ' ' TRP . 0.9 OUTLIER -135.45 124.81 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.081 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 55' ' ' THR . . . . . 0.468 ' H ' ' H ' ' X' ' 42' ' ' GLU . 67.1 m -124.1 115.46 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.062 0.458 . . . . 0.0 111.346 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.61 179.504 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.74 ' H3 ' ' CB ' ' X' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.455 ' H ' ' CG ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -126.61 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.26 169.04 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -126.75 141.45 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.21 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.09 104.83 7.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 74.6 mt -109.79 110.93 33.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.799 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.706 ' CD2' ' N ' ' X' ' 7' ' ' LEU . 0.0 OUTLIER -92.69 106.32 18.32 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' X' ' 54' ' ' VAL . 29.4 t30 -87.35 114.06 23.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.453 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . 0.696 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -109.02 146.44 16.65 Favored Glycine 0 C--N 1.321 -0.3 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' X' ' 9' ' ' GLY . 12.2 tttt -32.35 -64.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.95 8.5 20.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.1 OUTLIER -132.59 128.24 36.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.842 -179.239 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.448 ' N ' HD13 ' X' ' 12' ' ' LEU . 0.0 OUTLIER -142.5 142.76 32.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.744 179.048 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.75 173.56 35.09 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.452 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.16 146.49 48.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.698 0.285 . . . . 0.0 110.346 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.56 163.21 31.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.675 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.58 136.95 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 21.1 p -147.9 153.88 39.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.616 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . 0.592 ' CD ' ' H ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -103.95 137.94 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . 0.74 ' CB ' ' H3 ' ' X' ' 1' ' ' MET . . . -95.36 162.75 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 0.0 111.7 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' X' ' 20' ' ' ALA . 1.4 t 153.54 -7.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.585 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.0 39.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.411 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -52.45 -25.2 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.149 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.67 89.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.201 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 4.4 m -76.24 -44.96 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.833 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.23 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.221 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 10.7 tp10 -60.38 -33.96 73.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.171 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -63.1 -46.3 88.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -40.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.994 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.19 -34.62 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -58.78 -49.55 77.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.007 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -33.94 72.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.303 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -39.33 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' X' ' 39' ' ' VAL . . . -69.11 -45.79 69.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.036 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -64.65 -43.64 92.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.238 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -66.43 -28.11 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.65 0.04 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.511 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.36 9.97 58.65 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.695 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.542 ' N ' ' O ' ' X' ' 34' ' ' ALA . 13.9 t -88.39 108.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.101 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.55 160.13 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.42 . . . . 0.0 110.964 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' X' ' 55' ' ' THR . . . 150.75 -149.25 21.07 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . 0.514 ' H ' ' H ' ' X' ' 55' ' ' THR . 1.9 mm-40 -117.08 116.47 27.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.578 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -111.91 148.31 33.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.301 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 44' ' ' THR . . . . . 0.462 ' HG1' ' H ' ' X' ' 45' ' ' TYR . 8.8 t -157.07 169.32 25.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.477 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.462 ' H ' ' HG1' ' X' ' 44' ' ' THR . 13.1 m-85 -91.46 101.91 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.159 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . 0.559 ' OD1' ' OG1' ' X' ' 49' ' ' THR . 0.4 OUTLIER -104.67 117.07 33.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.731 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.98 -26.12 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -36.9 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.559 ' OG1' ' OD1' ' X' ' 46' ' ' ASP . 63.4 p -116.64 -0.38 12.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.107 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mttp 47.08 47.99 15.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.519 ' CG2' ' HG1' ' X' ' 49' ' ' THR . 10.6 t -148.07 151.56 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.435 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -105.4 137.13 43.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.391 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 24.5 m -130.29 138.58 50.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' X' ' 8' ' ' ASN . 4.6 t -127.96 124.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.388 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 55' ' ' THR . . . . . 0.557 ' O ' ' C ' ' X' ' 56' ' ' GLU . 21.8 m -124.78 116.96 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . 0.608 ' OE1' ' N ' ' X' ' 56' ' ' GLU . 5.0 pm0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.65 ' OE1' ' NZ ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -104.41 131.82 51.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.378 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.501 ' OH ' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -144.32 140.73 29.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.068 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.65 ' NZ ' ' OE1' ' X' ' 2' ' ' GLN . 8.5 mtmm -131.77 141.51 49.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -128.59 103.39 7.07 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 3.2 tt -115.75 107.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.599 ' N ' ' CD1' ' X' ' 7' ' ' LEU . 0.1 OUTLIER -104.88 105.91 16.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.133 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -113.8 112.64 23.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.95 -144.33 6.0 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.663 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -55.15 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.643 0.259 . . . . 0.0 110.778 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 2.3 p -111.7 8.27 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.886 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -112.46 114.08 26.59 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -144.46 138.95 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.246 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.9 172.31 42.6 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -135.31 139.31 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -146.05 169.23 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.88 143.94 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.7 139.15 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.384 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' X' ' 19' ' ' GLU . 14.7 mp0 -111.84 105.44 13.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.6 157.17 40.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.47 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.13 6.84 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.395 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.07 58.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' X' ' 27' ' ' GLU . . . -72.14 -28.55 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.35 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.445 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 3.0 p -75.41 -43.72 48.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.2 96.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.018 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' X' ' 23' ' ' ALA . 40.6 mt-10 -57.44 -43.4 83.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -68.23 -46.38 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.722 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . 0.431 ' H ' HG11 ' X' ' 29' ' ' VAL . 2.8 p -68.14 -44.49 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' X' ' 34' ' ' ALA . 0.2 OUTLIER -62.78 -36.61 83.68 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.025 -179.364 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' X' ' 35' ' ' ASN . 1.8 mttt -58.08 -45.83 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.68 -49.6 25.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.21 -44.63 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.849 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' X' ' 30' ' ' PHE . . . -64.73 -41.52 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . 0.541 ' CG ' ' O ' ' X' ' 31' ' ' LYS . 8.6 m120 -62.91 -39.52 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.4 -26.87 68.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.431 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -85.95 -6.22 59.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.842 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.57 20.73 28.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.511 ' O ' ' ND2' ' X' ' 35' ' ' ASN . 53.7 t -86.4 108.51 17.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.339 -0.545 . . . . 0.0 109.769 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 167.4 16.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 0.0 111.158 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.08 -157.85 27.25 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . 0.449 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.7 tt0 -109.69 116.38 31.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -104.42 149.63 25.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -178.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 44' ' ' THR . . . . . 0.437 ' O ' ' CE2' ' X' ' 52' ' ' PHE . 0.3 OUTLIER -151.29 169.4 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.36 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 101.57 10.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.656 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.7 141.27 29.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.406 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.47 -31.09 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.64 65.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.456 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -2.64 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.32 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mttp 53.01 57.12 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 2.9 t -143.9 150.27 38.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' OH ' ' X' ' 3' ' ' TYR . 0.2 OUTLIER -107.12 134.51 50.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.159 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.57 137.09 55.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 111.389 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.08 123.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.845 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 55' ' ' THR . . . . . 0.449 ' H ' ' H ' ' X' ' 42' ' ' GLU . 58.0 m -124.94 114.66 19.45 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.466 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' X' ' 55' ' ' THR . 2.3 tp10 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.68 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.621 ' CG ' ' H ' ' X' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.621 ' H ' ' CG ' ' X' ' 1' ' ' MET . 1.9 mt-30 -126.78 123.01 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -135.88 148.38 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.552 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -133.9 142.97 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.229 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.98 105.21 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.169 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -102.04 106.83 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.915 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.467 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.2 OUTLIER -113.44 124.7 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.613 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.565 HD21 ' H ' ' X' ' 10' ' ' LYS . 1.7 t30 -103.83 114.28 28.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -83.66 45.64 3.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.565 ' H ' HD21 ' X' ' 8' ' ' ASN . 5.7 ttpm? 62.46 -55.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.269 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' THR . . . . . 0.623 ' N ' ' O ' ' X' ' 9' ' ' GLY . 7.9 t -112.24 5.76 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' X' ' 9' ' ' GLY . 16.0 tp -138.39 146.39 42.18 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -135.06 148.04 49.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.671 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.98 160.43 28.14 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.796 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' X' ' 16' ' ' THR . 0.5 OUTLIER -138.72 138.55 37.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' THR . . . . . 0.544 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 2.8 t -144.17 166.34 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 111.023 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.92 132.08 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.388 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -154.61 146.07 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.614 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -110.83 113.74 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.32 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' X' ' 1' ' ' MET . . . -141.39 167.55 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.811 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' X' ' 21' ' ' VAL . 14.5 p -129.11 14.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.395 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' X' ' 26' ' ' ALA . 0.5 OUTLIER -116.31 78.01 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.72 -45.59 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.796 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.07 94.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' X' ' 29' ' ' VAL . 0.2 OUTLIER -76.11 -42.46 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.198 -179.731 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' X' ' 22' ' ' ASP . . . -66.12 -42.45 89.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.839 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.543 ' CD ' ' N ' ' X' ' 28' ' ' LYS . 1.9 pp20? -57.28 -45.12 84.4 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.227 -178.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' X' ' 27' ' ' GLU . 11.8 tttt -69.3 -41.12 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.442 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' X' ' 25' ' ' THR . 40.6 t -68.63 -39.33 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.531 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -35.21 75.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.598 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -31.22 71.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.434 . . . . 0.0 109.969 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.07 -49.36 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.39 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 0.0 OUTLIER -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.294 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' X' ' 39' ' ' VAL . . . -61.71 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.24 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -45.78 86.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.145 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.4 -28.41 68.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -9.35 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.709 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.41 17.77 63.68 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.193 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' X' ' 34' ' ' ALA . 5.1 m -99.44 109.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.037 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -126.05 167.94 14.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.218 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.73 -153.82 24.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . 0.521 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.9 mt-10 -96.26 116.04 28.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.8 149.54 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.348 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.5 138.71 20.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.621 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 102.53 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.056 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.65 119.88 38.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.193 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -23.59 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.692 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.65 -33.02 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.459 ' O ' ' C ' ' X' ' 50' ' ' LYS . 2.1 p -119.68 9.46 11.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' X' ' 49' ' ' THR . 9.8 mttt 34.48 56.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 38.3 m -137.94 135.39 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 111.046 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.88 148.23 29.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.056 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -143.51 135.8 27.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.066 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' X' ' 42' ' ' GLU . 6.6 t -135.92 123.76 35.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.453 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 55' ' ' THR . . . . . 0.572 ' O ' ' C ' ' X' ' 56' ' ' GLU . 3.2 m -125.0 115.6 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.689 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . 0.572 ' C ' ' O ' ' X' ' 55' ' ' THR . 1.9 pp20? . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.932 -1.032 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttm . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.76 129.21 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.115 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -138.14 141.19 40.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.295 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.644 ' O ' ' N ' ' X' ' 52' ' ' PHE . 0.4 OUTLIER -121.97 134.02 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.213 179.09 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -131.39 105.75 7.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.811 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.421 ' H ' HG12 ' X' ' 6' ' ' ILE . 1.5 pt -109.16 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.501 HD21 ' H ' ' X' ' 7' ' ' LEU . 0.2 OUTLIER -114.32 130.66 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.364 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' X' ' 10' ' ' LYS . 0.5 OUTLIER -109.77 114.17 27.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.97 178.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' X' ' 10' ' ' LYS . . . -78.07 32.83 1.74 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' X' ' 9' ' ' GLY . 1.8 tttp 91.5 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.935 0.398 . . . . 0.0 110.45 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -111.86 -6.52 14.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 22.2 mt -124.97 125.64 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.74 149.29 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.412 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.45 -179.54 30.65 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -130.02 139.22 51.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.599 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.5 147.97 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -132.76 132.85 42.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.652 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -144.45 134.78 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . 0.641 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -118.42 105.91 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.4 175.11 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.38 42.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.047 0.451 . . . . 0.0 110.315 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.47 13.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.848 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -52.85 -22.32 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.87 79.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.634 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 16.5 p -74.66 -47.03 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.095 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.73 -41.31 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.851 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.671 ' O ' ' NZ ' ' X' ' 31' ' ' LYS . 3.8 mm-40 -57.88 -37.96 74.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -60.45 -35.85 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.36 -41.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.38 -29.45 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.671 ' NZ ' ' O ' ' X' ' 27' ' ' GLU . 27.5 mmtm -73.04 -35.87 66.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -63.29 -42.99 99.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.86 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.0 -37.46 78.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.02 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.477 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.94 -46.99 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.89 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -25.43 67.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.954 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -85.91 -6.72 59.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.037 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.22 22.92 23.65 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 66.1 t -87.82 108.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.447 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -127.0 167.51 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.02 -179.61 32.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 4.1 pt-20 -88.05 116.87 26.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.441 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.488 ' CH2' ' HD2' ' X' ' 31' ' ' LYS . 87.2 m95 -102.2 148.15 25.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.6 t -156.2 169.51 24.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.752 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.479 ' HA ' ' CZ ' ' X' ' 52' ' ' PHE . 15.7 m-85 -113.36 102.34 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.41 146.65 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -129.03 -36.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.45 -36.66 61.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.407 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER -119.56 6.36 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.345 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' X' ' 49' ' ' THR . 11.0 mtmm 39.08 59.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.418 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -148.29 136.82 21.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.785 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.644 ' N ' ' O ' ' X' ' 4' ' ' LYS . 3.7 m-30 -106.25 141.63 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.57 141.6 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.178 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.481 HG13 ' CE2' ' X' ' 43' ' ' TRP . 1.4 m -147.5 123.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 55' ' ' THR . . . . . 0.623 ' O ' ' C ' ' X' ' 56' ' ' GLU . 0.2 OUTLIER -125.56 116.77 22.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.565 179.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' X' ' 55' ' ' THR . 42.6 tp10 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.014 -0.994 . . . . 0.0 111.346 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 33.6 mtt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.405 HE21 ' C ' ' X' ' 3' ' ' TYR . 3.5 tm0? -96.14 140.91 30.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.512 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.405 ' C ' HE21 ' X' ' 2' ' ' GLN . 25.9 p90 -144.11 167.87 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.51 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -127.04 139.51 52.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.861 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.53 105.1 14.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.99 110.61 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' X' ' 54' ' ' VAL . 0.5 OUTLIER -107.54 105.38 15.25 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.361 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' X' ' 8' ' ' ASN . 0.6 OUTLIER -117.73 112.23 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.783 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.22 -154.44 6.51 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.633 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.462 ' HB2' ' HZ1' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -53.16 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 110.236 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 6.5 m -111.71 6.8 20.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.493 ' CD1' ' N ' ' X' ' 12' ' ' LEU . 7.5 mp -103.61 121.81 43.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -142.72 139.2 31.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.34 152.8 21.27 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -140.94 138.49 33.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.504 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -142.9 166.31 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.444 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 132.83 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.771 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -150.46 138.24 19.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -112.34 119.54 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.638 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.13 169.93 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 35.5 m -107.58 19.51 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -159.79 59.17 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' X' ' 27' ' ' GLU . . . -73.22 -25.05 60.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 3.8 m -74.56 -45.81 43.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' X' ' 23' ' ' ALA . 18.3 mm-40 -57.68 -39.63 77.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -63.7 -46.68 84.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -68.77 -41.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.582 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.52 -29.34 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.004 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.75 -51.3 67.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.045 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -63.97 -34.48 78.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.974 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.4 -34.81 68.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.092 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.33 -42.51 68.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -27.39 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.049 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.86 -33.7 74.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.044 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' X' ' 37' ' ' ASN . 10.2 t-20 -89.5 -1.85 58.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.749 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . 0.489 ' O ' ' OD1' ' X' ' 40' ' ' ASP . . . 94.77 23.63 20.22 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.53 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 t -86.92 108.54 18.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.303 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . 0.587 ' OD2' ' OE1' ' X' ' 56' ' ' GLU . 0.0 OUTLIER -126.17 168.43 14.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.15 -173.28 25.65 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . 0.435 ' O ' ' O ' ' X' ' 53' ' ' THR . 27.8 tt0 -96.16 121.65 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.558 ' NE1' ' CG1' ' X' ' 54' ' ' VAL . 15.0 m95 -103.14 148.1 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 0.0 110.991 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.05 137.84 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.898 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . 0.768 ' CD1' ' N ' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -90.64 101.73 14.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.146 179.677 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -103.2 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.04 -24.07 20.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.38 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.476 ' O ' ' OG1' ' X' ' 51' ' ' THR . 72.0 p -118.84 6.52 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.203 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.7 mttm 36.18 49.64 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.419 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' X' ' 49' ' ' THR . 11.5 m -141.38 142.02 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.841 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -107.02 139.84 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.022 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.435 ' O ' ' O ' ' X' ' 42' ' ' GLU . 0.6 OUTLIER -133.35 131.22 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.558 ' CG1' ' NE1' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -128.77 123.55 59.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.444 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 55' ' ' THR . . . . . . . . . . . . . 24.2 p -125.48 115.54 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.389 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . 0.587 ' OE1' ' OD2' ' X' ' 40' ' ' ASP . 2.4 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.348 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.733 HE21 ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -122.22 129.22 52.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.496 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.733 ' N ' HE21 ' X' ' 2' ' ' GLN . 96.7 m-85 -133.39 165.86 23.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.317 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -133.67 131.82 39.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -114.4 103.72 11.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.043 179.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' X' ' 53' ' ' THR . 8.1 mt -102.05 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.417 ' CB ' ' HB ' ' X' ' 54' ' ' VAL . 0.2 OUTLIER -98.43 107.06 19.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.797 -179.249 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.612 HD22 ' CD ' ' X' ' 13' ' ' LYS . 0.3 OUTLIER -92.35 112.99 25.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -98.66 161.67 20.4 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' X' ' 9' ' ' GLY . 1.2 tttt -39.02 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' THR . . . . . 0.441 ' N ' ' HG2' ' X' ' 10' ' ' LYS . 8.6 t -112.18 7.82 19.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.607 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.8 OUTLIER -132.27 139.25 48.18 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.464 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.612 ' CD ' HD22 ' X' ' 8' ' ' ASN . 5.5 mtmp? -136.38 156.37 48.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.809 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.41 138.52 5.49 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.387 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . 0.551 ' OE2' ' O ' ' X' ' 15' ' ' GLU . 0.7 OUTLIER -133.46 138.7 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.135 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.25 175.73 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.68 134.78 48.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.212 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.45 148.11 29.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.73 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.92 110.59 20.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.24 157.45 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.69 22.8 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.448 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.86 41.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -53.96 -23.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.634 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.52 88.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.32 -46.44 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.33 84.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 16.1 tp10 -60.28 -39.87 88.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -39.64 89.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 109.966 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 19.8 t -67.26 -41.51 86.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.81 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' X' ' 34' ' ' ALA . 1.4 m-85 -63.35 -26.36 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -56.77 -30.87 64.05 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -69.78 -45.01 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -35.6 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.815 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' X' ' 30' ' ' PHE . . . -63.03 -46.28 88.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -56.79 -46.05 81.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.949 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.31 -24.19 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.7 -5.59 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 19.75 31.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 56.2 t -105.16 108.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.533 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' X' ' 41' ' ' GLY . 45.6 t0 -127.19 163.44 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.204 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' X' ' 40' ' ' ASP . . . 147.94 -157.1 27.22 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 9.4 mt-10 -118.8 122.49 42.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.771 0.32 . . . . 0.0 110.153 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' X' ' 43' ' ' TRP . 8.9 m95 -102.73 149.25 24.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.43 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.59 162.35 39.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -120.21 105.7 11.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' X' ' 51' ' ' THR . 0.4 OUTLIER -96.28 165.94 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.649 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -12.71 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.44 39.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.591 ' O ' ' N ' ' X' ' 51' ' ' THR . 26.3 p -119.25 12.81 12.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.2 mttm 29.56 36.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.538 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.591 ' N ' ' O ' ' X' ' 49' ' ' THR . 6.6 t -130.11 150.8 51.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 1.2 m-85 -107.55 142.54 37.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.232 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' X' ' 6' ' ' ILE . 75.9 p -128.29 152.12 48.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.431 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.47 HG13 ' CE2' ' X' ' 43' ' ' TRP . 19.7 t -135.35 124.36 40.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.659 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 55' ' ' THR . . . . . 0.55 ' O ' ' C ' ' X' ' 56' ' ' GLU . 8.8 m -124.76 114.63 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.661 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' X' ' 55' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.944 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -126.24 130.23 50.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.395 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.04 162.04 37.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -130.51 144.09 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.387 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.35 105.27 11.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.454 HG22 HD11 ' X' ' 6' ' ' ILE . 3.1 mm -101.81 121.92 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.62 107.46 16.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.96 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.95 114.49 28.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.223 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.57 40.89 2.89 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt 71.5 -58.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 43.1 p -112.42 1.94 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.754 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 mp -125.34 151.1 46.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.38 . . . . 0.0 111.028 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.479 ' HZ1' ' CB ' ' X' ' 13' ' ' LYS . 9.1 mtmp? -141.3 154.32 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.228 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.42 166.01 31.56 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -140.67 139.57 34.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.85 176.62 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.94 137.81 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -155.16 154.33 32.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . 0.646 ' N ' ' OE1' ' X' ' 19' ' ' GLU . 34.4 mp0 -103.98 138.97 39.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.992 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 147.72 22.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.342 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -178.5 -10.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.757 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.02 42.04 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.94 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.97 20.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.314 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.59 87.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.785 0.326 . . . . 0.0 110.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 25' ' ' THR . . . . . 0.464 ' HG1' ' H ' ' X' ' 26' ' ' ALA . 39.8 p -75.9 -45.89 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . 0.464 ' H ' ' HG1' ' X' ' 25' ' ' THR . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.429 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -57.37 -25.39 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.152 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -63.25 -47.73 81.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.1 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . 0.462 HG22 ' N ' ' X' ' 30' ' ' PHE . 0.9 OUTLIER -70.0 -41.69 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.406 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.462 ' N ' HG22 ' X' ' 29' ' ' VAL . 0.1 OUTLIER -64.69 -35.11 79.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.136 -179.399 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.956 0.408 . . . . 0.0 109.901 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.29 98.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.621 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -44.81 95.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.749 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.86 99.96 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -43.68 96.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.649 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -29.43 64.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.753 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -89.75 -6.78 55.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.92 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.15 16.09 58.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 71.9 t -88.09 107.57 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.295 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.47 167.74 15.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.626 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . 0.654 ' O ' ' CE2' ' X' ' 43' ' ' TRP . . . 154.03 -170.79 32.65 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.96 116.45 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.654 ' CE2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.65 148.32 26.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.502 . . . . 0.0 111.323 -178.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.12 165.74 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.922 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -106.21 106.87 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.95 131.61 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -46.55 4.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 -28.63 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.673 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.522 ' O ' ' C ' ' X' ' 50' ' ' LYS . 12.4 p -117.48 8.48 12.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.4 mtmt 28.49 50.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 21.5 m -135.92 145.4 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -117.66 132.8 56.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.543 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -139.39 157.66 45.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.915 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.541 ' CG1' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -147.3 124.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.948 179.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 55' ' ' THR . . . . . 0.551 ' O ' ' C ' ' X' ' 56' ' ' GLU . 2.7 m -122.9 115.56 22.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . 0.551 ' C ' ' O ' ' X' ' 55' ' ' THR . 6.9 tt0 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.494 ' C ' ' CD1' ' X' ' 3' ' ' TYR . 8.2 tt0 -125.96 132.16 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . 0.494 ' CD1' ' C ' ' X' ' 2' ' ' GLN . 0.2 OUTLIER -143.02 167.87 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 111.024 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -137.95 143.14 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.91 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.653 ' CD2' ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -118.32 108.68 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.897 -179.457 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' X' ' 53' ' ' THR . 37.2 mt -101.36 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.868 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 pp -110.6 121.37 45.14 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.068 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -105.23 114.46 28.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . 0.664 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -85.89 48.52 3.98 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 -56.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 109.812 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' THR . . . . . 0.664 ' N ' ' O ' ' X' ' 9' ' ' GLY . 0.0 OUTLIER -112.26 3.38 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.563 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.3 OUTLIER -131.86 143.17 49.97 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.462 ' H ' HD13 ' X' ' 12' ' ' LEU . 31.2 mtmm -131.57 146.02 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.289 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.65 143.32 8.24 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -131.77 152.41 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.03 170.26 16.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -143.31 134.97 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 11.2 m -148.03 146.08 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -113.98 108.87 17.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 162.99 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.651 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.63 40.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 12.7 p-10 -174.31 53.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.164 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.08 -29.32 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.56 89.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 5.9 m -75.41 -44.61 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.47 90.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.89 -46.88 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.93 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . 0.433 ' HZ3' ' HB2' ' X' ' 28' ' ' LYS . 1.6 ttmp? -64.48 -42.22 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.96 -41.98 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.988 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.42 -38.17 89.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.002 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.439 ' NZ ' HG12 ' X' ' 54' ' ' VAL . 1.9 mmpt? -61.34 -39.49 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.55 -44.57 89.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.33 73.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -61.86 -42.63 99.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.592 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.777 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.7 -3.68 58.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.781 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.42 18.79 34.64 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.535 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 85.2 t -89.57 108.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.195 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . 0.557 ' CG ' ' N ' ' X' ' 41' ' ' GLY . 0.5 OUTLIER -126.62 167.5 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.691 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . 0.662 ' O ' ' CZ2' ' X' ' 43' ' ' TRP . . . 157.73 -162.89 32.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 0.7 OUTLIER -102.75 115.85 31.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.095 179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.662 ' CZ2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.87 149.59 25.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -155.45 166.83 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.635 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.29 102.61 14.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.635 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' X' ' 46' ' ' ASP . 0.9 OUTLIER -105.39 125.53 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.362 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -111.17 -29.46 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.762 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.06 -20.27 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 49' ' ' THR . . . . . 0.608 ' O ' ' N ' ' X' ' 51' ' ' THR . 67.6 p -104.8 6.48 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.754 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 40.06 18.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 51' ' ' THR . . . . . 0.608 ' N ' ' O ' ' X' ' 49' ' ' THR . 9.2 t -148.33 144.94 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.741 ' CD1' ' N ' ' X' ' 53' ' ' THR . 0.0 OUTLIER -109.55 161.25 15.53 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.741 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 9.3 t -144.59 153.42 41.77 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.877 -0.729 . . . . 0.0 112.335 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.439 HG12 ' NZ ' ' X' ' 31' ' ' LYS . 2.2 p -142.08 123.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.253 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 55' ' ' THR . . . . . 0.546 ' O ' ' C ' ' X' ' 56' ' ' GLU . 10.3 m -124.65 115.47 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.077 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' X' ' 55' ' ' THR . 11.5 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' MET . . . . . 0.559 ' CG ' ' N ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' X' ' 1' ' ' MET . 9.8 mt-30 -102.15 136.24 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.405 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -130.99 165.78 22.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' X' ' 52' ' ' PHE . 4.8 mttm -128.75 138.63 52.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.779 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -122.77 119.68 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.593 -179.723 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.5 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.87 123.55 48.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.257 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.59 114.49 28.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.767 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -81.6 28.4 3.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' LYS . . . . . 0.461 ' CG ' ' C ' ' X' ' 9' ' ' GLY . 3.7 mtmm 76.15 -58.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 109.977 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -111.67 -3.57 14.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' X' ' 9' ' ' GLY . 4.9 mt -138.63 151.1 46.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.586 ' CB ' ' HZ2' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -132.64 151.23 52.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.77 158.74 29.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' GLU . . . . . 0.571 ' CD ' ' N ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -137.04 144.38 43.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.533 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.68 170.15 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.561 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -126.31 151.79 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -155.1 142.73 19.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 110.974 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.0 105.67 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.219 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.06 176.17 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' VAL . . . . . 0.555 ' O ' ' OD1' ' X' ' 22' ' ' ASP . 3.1 m -94.99 8.91 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' X' ' 21' ' ' VAL . 34.6 m-20 -178.61 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.81 63.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.142 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.37 88.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -44.08 64.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.033 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.79 88.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.63 -28.81 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.729 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -60.39 -46.33 90.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 29' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' X' ' 30' ' ' PHE . 0.6 OUTLIER -66.09 -41.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.27 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 30' ' ' PHE . . . . . 0.473 ' N ' ' CG2' ' X' ' 29' ' ' VAL . 0.2 OUTLIER -65.05 -34.05 77.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.715 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 31' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' X' ' 35' ' ' ASN . 0.0 OUTLIER -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.0 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.119 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.86 -38.49 88.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.149 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.14 -37.66 72.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 35' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' X' ' 31' ' ' LYS . 6.0 t-20 -56.67 -36.81 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.803 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -26.28 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.813 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -87.37 -7.84 57.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.957 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.19 23.32 22.59 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.817 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 39' ' ' VAL . . . . . . . . . . . . . 53.5 t -80.53 108.68 14.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.066 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 40' ' ' ASP . . . . . 0.572 ' O ' ' OXT' ' X' ' 56' ' ' GLU . 0.3 OUTLIER -126.32 167.14 15.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.207 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 41' ' ' GLY . . . . . 0.557 ' O ' ' CZ2' ' X' ' 43' ' ' TRP . . . 143.37 -171.9 24.97 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 42' ' ' GLU . . . . . 0.499 ' O ' ' O ' ' X' ' 53' ' ' THR . 3.2 tt0 -96.57 115.68 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.784 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 43' ' ' TRP . . . . . 0.583 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -106.66 149.71 26.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.701 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -156.56 164.92 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.083 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 101.61 10.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -115.03 144.06 44.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.05 -25.21 4.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.38 -31.59 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -3.32 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 53.14 45.6 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -148.65 146.12 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.465 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 52' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' X' ' 4' ' ' LYS . 5.9 m-85 -107.89 154.41 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 53' ' ' THR . . . . . 0.499 ' O ' ' O ' ' X' ' 42' ' ' GLU . 4.6 m -143.49 143.04 31.4 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 112.186 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 54' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' X' ' 43' ' ' TRP . 2.3 t -135.24 122.43 35.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.928 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 55' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' X' ' 56' ' ' GLU . 45.1 m -125.52 114.61 19.01 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.194 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 56' ' ' GLU . . . . . 0.636 ' CB ' ' O ' ' X' ' 55' ' ' THR . 7.5 tp10 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.995 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -124.98 132.09 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -128.95 167.94 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' X' ' 15' ' ' GLU . 4.1 tttm -127.27 140.13 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.206 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' X' ' 5' ' ' LEU . 0.2 OUTLIER -123.83 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.685 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 52.8 mt -107.61 106.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.806 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.554 ' O ' HD12 ' X' ' 7' ' ' LEU . 0.3 OUTLIER -113.58 114.08 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -98.39 114.82 27.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.159 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 9' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -87.86 47.74 3.6 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.58 -56.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 0.0 109.883 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.667 ' N ' ' O ' ' X' ' 9' ' ' GLY . 9.8 p -111.95 2.8 17.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.183 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.65 HD13 ' H ' ' X' ' 13' ' ' LYS . 0.1 OUTLIER -131.2 132.42 44.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 -179.3 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.65 ' H ' HD13 ' X' ' 12' ' ' LEU . 0.0 OUTLIER -131.97 139.48 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.108 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.92 141.79 7.74 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 15' ' ' GLU . . . . . 0.461 ' HB2' ' NZ ' ' X' ' 4' ' ' LYS . 1.3 pm0 -127.62 139.7 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.362 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 1.3 t -143.15 161.16 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 4.2 p -128.32 139.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -144.06 144.57 31.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.48 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 22.3 mp0 -108.24 110.11 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.611 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 174.16 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 21' ' ' VAL . . . . . 0.491 ' O ' HG12 ' X' ' 21' ' ' VAL . 17.0 t -117.11 1.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.33 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 1.2 p-10 -137.66 74.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.88 75.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.607 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.453 ' OG1' ' OD2' ' X' ' 22' ' ' ASP . 30.5 p -75.11 -45.3 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.96 97.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -58.53 -41.93 86.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -45.58 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.988 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 26.8 t -63.21 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.793 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -36.48 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.163 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -62.59 -50.82 69.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.81 -33.9 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -72.46 -44.33 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.595 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.648 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -57.99 -42.27 84.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.168 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 36' ' ' ASP . . . . . 0.577 ' O ' ' OD1' ' X' ' 36' ' ' ASP . 38.6 t0 -66.42 -27.35 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.362 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.79 -1.26 57.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.247 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.49 23.28 21.98 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.648 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 48.8 t -99.03 108.97 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.533 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.39 167.35 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 41' ' ' GLY . . . . . 0.507 ' C ' ' OE1' ' X' ' 42' ' ' GLU . . . 147.99 -150.0 22.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 42' ' ' GLU . . . . . 0.578 ' H ' ' H ' ' X' ' 55' ' ' THR . 0.0 OUTLIER -111.42 116.39 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.62 ' CD1' HG13 ' X' ' 54' ' ' VAL . 0.0 OUTLIER -104.82 150.04 25.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.33 169.12 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -113.98 104.95 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.763 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.66 122.43 36.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.268 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -92.47 -32.29 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.02 -27.45 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.665 ' O ' ' N ' ' X' ' 51' ' ' THR . 48.6 p -119.25 7.19 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.991 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' X' ' 49' ' ' THR . 0.0 OUTLIER 30.76 31.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.521 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 51' ' ' THR . . . . . 0.665 ' N ' ' O ' ' X' ' 49' ' ' THR . 1.2 t -118.63 147.46 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.409 ' HB2' HD22 ' X' ' 5' ' ' LEU . 7.1 m-85 -112.15 146.01 38.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -136.91 141.64 42.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' X' ' 43' ' ' TRP . 0.9 OUTLIER -135.45 124.81 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.081 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.578 ' H ' ' H ' ' X' ' 42' ' ' GLU . 67.1 m -124.1 115.46 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.062 0.458 . . . . 0.0 111.346 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.61 179.504 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.989 ' H3 ' ' HB3' ' X' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -126.61 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.26 169.04 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -126.75 141.45 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.21 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.09 104.83 7.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.536 ' C ' HD23 ' X' ' 7' ' ' LEU . 74.6 mt -109.79 110.93 33.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.799 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.899 ' N ' HD23 ' X' ' 7' ' ' LEU . 0.0 OUTLIER -92.69 106.32 18.32 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' X' ' 54' ' ' VAL . 29.4 t30 -87.35 114.06 23.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.453 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 9' ' ' GLY . . . . . 0.696 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -109.02 146.44 16.65 Favored Glycine 0 C--N 1.321 -0.3 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' X' ' 9' ' ' GLY . 12.2 tttt -32.35 -64.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.95 8.5 20.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.1 OUTLIER -132.59 128.24 36.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.842 -179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 142.76 32.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.744 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.75 173.56 35.09 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.452 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.16 146.49 48.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.698 0.285 . . . . 0.0 110.346 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.56 163.21 31.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.675 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.58 136.95 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 21.1 p -147.9 153.88 39.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.616 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' GLU . . . . . 0.66 ' CD ' ' H ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -103.95 137.94 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.989 ' HB3' ' H3 ' ' X' ' 1' ' ' MET . . . -95.36 162.75 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 0.0 111.7 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 21' ' ' VAL . . . . . 0.742 HG23 ' O ' ' X' ' 20' ' ' ALA . 1.4 t 153.54 -7.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.585 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.0 39.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.411 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -52.45 -25.2 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.149 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.67 89.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.201 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.442 ' O ' HG23 ' X' ' 29' ' ' VAL . 4.4 m -76.24 -44.96 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.833 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.23 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.221 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 10.7 tp10 -60.38 -33.96 73.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.171 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -63.1 -46.3 88.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 29' ' ' VAL . . . . . 0.467 ' H ' HG23 ' X' ' 29' ' ' VAL . 0.2 OUTLIER -68.82 -40.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.994 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.19 -34.62 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -58.78 -49.55 77.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.007 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -33.94 72.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.303 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -39.33 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.656 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.11 -45.79 69.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.036 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -64.65 -43.64 92.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.238 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -66.43 -28.11 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.65 0.04 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.511 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.36 9.97 58.65 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.695 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.656 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 13.9 t -88.39 108.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.101 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.55 160.13 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.42 . . . . 0.0 110.964 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 41' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' X' ' 55' ' ' THR . . . 150.75 -149.25 21.07 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 42' ' ' GLU . . . . . 0.626 ' H ' ' H ' ' X' ' 55' ' ' THR . 1.9 mm-40 -117.08 116.47 27.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.578 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -111.91 148.31 33.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.301 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -157.07 169.32 25.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.477 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.46 101.91 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.159 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 46' ' ' ASP . . . . . 0.518 ' OD1' ' OG1' ' X' ' 49' ' ' THR . 0.4 OUTLIER -104.67 117.07 33.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.731 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.98 -26.12 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -36.9 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.687 ' OG1' HG22 ' X' ' 51' ' ' THR . 63.4 p -116.64 -0.38 12.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.107 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mttp 47.08 47.99 15.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 51' ' ' THR . . . . . 0.687 HG22 ' OG1' ' X' ' 49' ' ' THR . 10.6 t -148.07 151.56 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.435 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -105.4 137.13 43.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.391 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 24.5 m -130.29 138.58 50.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' X' ' 8' ' ' ASN . 4.6 t -127.96 124.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.388 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.626 ' H ' ' H ' ' X' ' 42' ' ' GLU . 21.8 m -124.78 116.96 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.562 ' OE1' ' N ' ' X' ' 56' ' ' GLU . 5.0 pm0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.65 ' OE1' ' NZ ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -104.41 131.82 51.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.378 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.501 ' OH ' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -144.32 140.73 29.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.068 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.65 ' NZ ' ' OE1' ' X' ' 2' ' ' GLN . 8.5 mtmm -131.77 141.51 49.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -128.59 103.39 7.07 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.426 ' O ' HG23 ' X' ' 6' ' ' ILE . 3.2 tt -115.75 107.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.978 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.1 OUTLIER -104.88 105.91 16.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.133 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -113.8 112.64 23.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.95 -144.33 6.0 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.663 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.429 ' HB3' ' H ' ' X' ' 11' ' ' THR . 10.7 tptt -55.15 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.643 0.259 . . . . 0.0 110.778 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.429 ' H ' ' HB3' ' X' ' 10' ' ' LYS . 2.3 p -111.7 8.27 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.886 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -112.46 114.08 26.59 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -144.46 138.95 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.246 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.9 172.31 42.6 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -135.31 139.31 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -146.05 169.23 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.88 143.94 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.7 139.15 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.384 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 19' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' X' ' 19' ' ' GLU . 14.7 mp0 -111.84 105.44 13.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.6 157.17 40.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.47 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.13 6.84 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.395 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.07 58.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' X' ' 27' ' ' GLU . . . -72.14 -28.55 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.35 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.445 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.49 ' O ' HG12 ' X' ' 29' ' ' VAL . 3.0 p -75.41 -43.72 48.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.596 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' CG1' ' X' ' 29' ' ' VAL . . . -62.68 -40.2 96.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.018 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' X' ' 23' ' ' ALA . 40.6 mt-10 -57.44 -43.4 83.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -68.23 -46.38 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.722 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 29' ' ' VAL . . . . . 0.49 HG12 ' O ' ' X' ' 25' ' ' THR . 2.8 p -68.14 -44.49 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' X' ' 34' ' ' ALA . 0.2 OUTLIER -62.78 -36.61 83.68 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.025 -179.364 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' X' ' 35' ' ' ASN . 1.8 mttt -58.08 -45.83 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -73.68 -49.6 25.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.21 -44.63 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.849 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' X' ' 30' ' ' PHE . . . -64.73 -41.52 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 35' ' ' ASN . . . . . 0.541 ' CG ' ' O ' ' X' ' 31' ' ' LYS . 8.6 m120 -62.91 -39.52 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.4 -26.87 68.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.431 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -85.95 -6.22 59.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.842 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.57 20.73 28.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.511 ' O ' ' ND2' ' X' ' 35' ' ' ASN . 53.7 t -86.4 108.51 17.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.339 -0.545 . . . . 0.0 109.769 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 167.4 16.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 0.0 111.158 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 41' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' X' ' 55' ' ' THR . . . 144.08 -157.85 27.25 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 42' ' ' GLU . . . . . 0.55 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.7 tt0 -109.69 116.38 31.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -104.42 149.63 25.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -178.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 44' ' ' THR . . . . . 0.437 ' O ' ' CE2' ' X' ' 52' ' ' PHE . 0.3 OUTLIER -151.29 169.4 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.36 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 101.57 10.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.656 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.7 141.27 29.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.406 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.47 -31.09 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.64 65.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.456 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -2.64 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.32 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mttp 53.01 57.12 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 2.9 t -143.9 150.27 38.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' OH ' ' X' ' 3' ' ' TYR . 0.2 OUTLIER -107.12 134.51 50.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.159 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.57 137.09 55.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 111.389 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' X' ' 42' ' ' GLU . 93.6 t -135.08 123.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.845 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.55 ' H ' ' H ' ' X' ' 42' ' ' GLU . 58.0 m -124.94 114.66 19.45 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.466 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' X' ' 55' ' ' THR . 2.3 tp10 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.68 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.57 ' CG ' ' H ' ' X' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.57 ' H ' ' CG ' ' X' ' 1' ' ' MET . 1.9 mt-30 -126.78 123.01 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -135.88 148.38 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.552 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -133.9 142.97 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.229 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.98 105.21 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.169 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -102.04 106.83 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.915 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.538 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.2 OUTLIER -113.44 124.7 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.613 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -103.83 114.28 28.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 9' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -83.66 45.64 3.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? 62.46 -55.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.269 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.623 ' N ' ' O ' ' X' ' 9' ' ' GLY . 7.9 t -112.24 5.76 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' X' ' 12' ' ' LEU . 16.0 tp -138.39 146.39 42.18 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -135.06 148.04 49.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.671 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.98 160.43 28.14 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.796 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 15' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' X' ' 16' ' ' THR . 0.5 OUTLIER -138.72 138.55 37.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 16' ' ' THR . . . . . 0.544 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 2.8 t -144.17 166.34 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 111.023 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 17' ' ' THR . . . . . 0.429 ' O ' HG23 ' X' ' 18' ' ' THR . 0.7 OUTLIER -138.92 132.08 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.388 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 18' ' ' THR . . . . . 0.429 HG23 ' O ' ' X' ' 17' ' ' THR . 23.7 p -154.61 146.07 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.614 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -110.83 113.74 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.32 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' X' ' 1' ' ' MET . . . -141.39 167.55 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.811 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 21' ' ' VAL . . . . . 0.697 HG22 ' O ' ' X' ' 21' ' ' VAL . 14.5 p -129.11 14.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.395 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' X' ' 26' ' ' ALA . 0.5 OUTLIER -116.31 78.01 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.72 -45.59 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.796 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.07 94.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.882 ' O ' HG23 ' X' ' 29' ' ' VAL . 0.2 OUTLIER -76.11 -42.46 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.198 -179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 26' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' X' ' 22' ' ' ASP . . . -66.12 -42.45 89.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.839 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.543 ' CD ' ' N ' ' X' ' 28' ' ' LYS . 1.9 pp20? -57.28 -45.12 84.4 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.227 -178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 28' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' X' ' 27' ' ' GLU . 11.8 tttt -69.3 -41.12 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.442 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 29' ' ' VAL . . . . . 0.882 HG23 ' O ' ' X' ' 25' ' ' THR . 40.6 t -68.63 -39.33 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.531 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -35.21 75.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.598 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -31.22 71.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.434 . . . . 0.0 109.969 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.07 -49.36 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.39 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 33' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 0.0 OUTLIER -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.294 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.885 ' HB1' HG23 ' X' ' 39' ' ' VAL . . . -61.71 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.24 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.1 -45.78 86.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.145 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.4 -28.41 68.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -9.35 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.709 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.41 17.77 63.68 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.193 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.885 HG23 ' HB1' ' X' ' 34' ' ' ALA . 5.1 m -99.44 109.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.037 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -126.05 167.94 14.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.218 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 41' ' ' GLY . . . . . 0.446 ' HA3' HG12 ' X' ' 54' ' ' VAL . . . 157.73 -153.82 24.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 42' ' ' GLU . . . . . 0.597 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.9 mt-10 -96.26 116.04 28.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.8 149.54 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.348 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.5 138.71 20.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.621 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 102.53 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.056 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.65 119.88 38.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.193 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -23.59 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.692 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.65 -33.02 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.459 ' O ' ' C ' ' X' ' 50' ' ' LYS . 2.1 p -119.68 9.46 11.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' X' ' 49' ' ' THR . 9.8 mttt 34.48 56.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 38.3 m -137.94 135.39 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 111.046 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.88 148.23 29.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.056 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -143.51 135.8 27.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.066 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.446 HG12 ' HA3' ' X' ' 41' ' ' GLY . 6.6 t -135.92 123.76 35.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.453 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.597 ' H ' ' H ' ' X' ' 42' ' ' GLU . 3.2 m -125.0 115.6 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.689 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.572 ' C ' ' O ' ' X' ' 55' ' ' THR . 1.9 pp20? . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.932 -1.032 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttm . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.76 129.21 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.115 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -138.14 141.19 40.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.295 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.644 ' O ' ' N ' ' X' ' 52' ' ' PHE . 0.4 OUTLIER -121.97 134.02 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.213 179.09 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.543 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -131.39 105.75 7.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.811 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.433 ' H ' HG12 ' X' ' 6' ' ' ILE . 1.5 pt -109.16 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.69 ' N ' HD23 ' X' ' 7' ' ' LEU . 0.2 OUTLIER -114.32 130.66 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.364 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' X' ' 10' ' ' LYS . 0.5 OUTLIER -109.77 114.17 27.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.97 178.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 9' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' X' ' 10' ' ' LYS . . . -78.07 32.83 1.74 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' X' ' 9' ' ' GLY . 1.8 tttp 91.5 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.935 0.398 . . . . 0.0 110.45 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.565 ' O ' HD23 ' X' ' 12' ' ' LEU . 3.2 m -111.86 -6.52 14.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.82 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.565 HD23 ' O ' ' X' ' 11' ' ' THR . 22.2 mt -124.97 125.64 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.74 149.29 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.412 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.45 -179.54 30.65 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -130.02 139.22 51.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.599 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.5 147.97 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 17' ' ' THR . . . . . 0.423 ' O ' HG23 ' X' ' 17' ' ' THR . 14.7 t -132.76 132.85 42.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.652 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -144.45 134.78 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 19' ' ' GLU . . . . . 0.641 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -118.42 105.91 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.4 175.11 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.38 42.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.047 0.451 . . . . 0.0 110.315 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' X' ' 23' ' ' ALA . 0.2 OUTLIER 177.47 13.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.848 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -52.85 -22.32 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.87 79.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.634 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.422 ' H ' ' HG1' ' X' ' 25' ' ' THR . 16.5 p -74.66 -47.03 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.095 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.73 -41.31 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.851 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.598 ' O ' ' NZ ' ' X' ' 31' ' ' LYS . 3.8 mm-40 -57.88 -37.96 74.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -60.45 -35.85 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.36 -41.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.38 -29.45 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.598 ' NZ ' ' O ' ' X' ' 27' ' ' GLU . 27.5 mmtm -73.04 -35.87 66.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -63.29 -42.99 99.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.86 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.0 -37.46 78.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.41 -38.02 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.477 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.94 -46.99 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.89 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -25.43 67.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.954 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -85.91 -6.72 59.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.037 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.22 22.92 23.65 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.609 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 66.1 t -87.82 108.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.447 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -127.0 167.51 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.02 -179.61 32.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 42' ' ' GLU . . . . . 0.469 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 4.1 pt-20 -88.05 116.87 26.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.441 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.541 ' CD2' HG11 ' X' ' 54' ' ' VAL . 87.2 m95 -102.2 148.15 25.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.6 t -156.2 169.51 24.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.752 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.485 ' HA ' ' CZ ' ' X' ' 52' ' ' PHE . 15.7 m-85 -113.36 102.34 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.41 146.65 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -129.03 -36.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.45 -36.66 61.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.407 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER -119.56 6.36 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.345 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' X' ' 49' ' ' THR . 11.0 mtmm 39.08 59.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.418 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -148.29 136.82 21.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.785 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.644 ' N ' ' O ' ' X' ' 4' ' ' LYS . 3.7 m-30 -106.25 141.63 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.57 141.6 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.178 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.541 HG11 ' CD2' ' X' ' 43' ' ' TRP . 1.4 m -147.5 123.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.623 ' O ' ' C ' ' X' ' 56' ' ' GLU . 0.2 OUTLIER -125.56 116.77 22.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.565 179.77 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' X' ' 55' ' ' THR . 42.6 tp10 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.014 -0.994 . . . . 0.0 111.346 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 33.6 mtt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.14 140.91 30.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.512 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' X' ' 3' ' ' TYR . 25.9 p90 -144.11 167.87 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.51 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -127.04 139.51 52.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.861 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.53 105.1 14.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.99 110.61 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' X' ' 54' ' ' VAL . 0.5 OUTLIER -107.54 105.38 15.25 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.361 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' X' ' 8' ' ' ASN . 0.6 OUTLIER -117.73 112.23 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.783 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.22 -154.44 6.51 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.633 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.439 ' HB2' ' HZ3' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -53.16 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 110.236 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.514 ' C ' HD12 ' X' ' 12' ' ' LEU . 6.5 m -111.71 6.8 20.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.702 HD12 ' N ' ' X' ' 12' ' ' LEU . 7.5 mp -103.61 121.81 43.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -142.72 139.2 31.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.34 152.8 21.27 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -140.94 138.49 33.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.504 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -142.9 166.31 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.444 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 132.83 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.771 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -150.46 138.24 19.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -112.34 119.54 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.638 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.13 169.93 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 35.5 m -107.58 19.51 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -159.79 59.17 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' X' ' 27' ' ' GLU . . . -73.22 -25.05 60.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 3.8 m -74.56 -45.81 43.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' X' ' 23' ' ' ALA . 18.3 mm-40 -57.68 -39.63 77.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -63.7 -46.68 84.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -68.77 -41.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.582 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.52 -29.34 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.004 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.75 -51.3 67.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.045 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -63.97 -34.48 78.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.974 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.4 -34.81 68.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.092 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -71.33 -42.51 68.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -27.39 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.049 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.86 -33.7 74.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.044 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 37' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' X' ' 37' ' ' ASN . 10.2 t-20 -89.5 -1.85 58.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.749 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 38' ' ' GLY . . . . . 0.489 ' O ' ' OD1' ' X' ' 40' ' ' ASP . . . 94.77 23.63 20.22 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.53 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.542 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 24.0 t -86.92 108.54 18.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.303 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 40' ' ' ASP . . . . . 0.587 ' OD2' ' OE1' ' X' ' 56' ' ' GLU . 0.0 OUTLIER -126.17 168.43 14.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.15 -173.28 25.65 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 42' ' ' GLU . . . . . 0.478 ' H ' ' H ' ' X' ' 55' ' ' THR . 27.8 tt0 -96.16 121.65 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.767 ' CE2' HG11 ' X' ' 54' ' ' VAL . 15.0 m95 -103.14 148.1 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 0.0 110.991 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.05 137.84 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.898 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.768 ' CD1' ' N ' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -90.64 101.73 14.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.146 179.677 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -103.2 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.04 -24.07 20.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.38 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.434 ' O ' ' C ' ' X' ' 50' ' ' LYS . 72.0 p -118.84 6.52 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.203 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.7 mttm 36.18 49.64 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.419 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -141.38 142.02 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -107.02 139.84 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.022 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.435 ' O ' ' O ' ' X' ' 42' ' ' GLU . 0.6 OUTLIER -133.35 131.22 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.767 HG11 ' CE2' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -128.77 123.55 59.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.444 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.478 ' H ' ' H ' ' X' ' 42' ' ' GLU . 24.2 p -125.48 115.54 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.389 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.587 ' OE1' ' OD2' ' X' ' 40' ' ' ASP . 2.4 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.348 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.22 129.22 52.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -133.39 165.86 23.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.317 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.524 ' C ' HD23 ' X' ' 5' ' ' LEU . 28.1 mttp -133.67 131.82 39.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.56 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -114.4 103.72 11.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.043 179.811 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' X' ' 53' ' ' THR . 8.1 mt -102.05 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.429 ' CB ' ' HB ' ' X' ' 54' ' ' VAL . 0.2 OUTLIER -98.43 107.06 19.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.797 -179.249 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.408 ' OD1' ' CD ' ' X' ' 13' ' ' LYS . 0.5 OUTLIER -92.35 112.99 25.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 9' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -98.66 161.67 20.4 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' X' ' 9' ' ' GLY . 1.2 tttt -39.02 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' X' ' 10' ' ' LYS . 8.6 t -112.18 7.82 19.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.607 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.8 OUTLIER -132.27 139.25 48.18 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.464 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.458 ' N ' ' HG ' ' X' ' 12' ' ' LEU . 5.5 mtmp? -136.38 156.37 48.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.809 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.41 138.52 5.49 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.387 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 15' ' ' GLU . . . . . 0.551 ' OE2' ' O ' ' X' ' 15' ' ' GLU . 0.7 OUTLIER -133.46 138.7 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.135 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.25 175.73 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.68 134.78 48.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.212 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.45 148.11 29.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.73 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.92 110.59 20.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.24 157.45 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 21' ' ' VAL . . . . . 0.545 HG22 ' O ' ' X' ' 21' ' ' VAL . 9.9 p -108.69 22.8 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.448 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.86 41.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -53.96 -23.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.634 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.52 88.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.32 -46.44 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.33 84.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 27' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 16.1 tp10 -60.28 -39.87 88.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -39.64 89.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 109.966 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 19.8 t -67.26 -41.51 86.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.81 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' X' ' 34' ' ' ALA . 1.4 m-85 -63.35 -26.36 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -56.77 -30.87 64.05 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -69.78 -45.01 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -35.6 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.815 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.695 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -63.03 -46.28 88.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -56.79 -46.05 81.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.949 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.31 -24.19 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.7 -5.59 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 19.75 31.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.695 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 56.2 t -105.16 108.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.533 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 40' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' X' ' 41' ' ' GLY . 45.6 t0 -127.19 163.44 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.204 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 41' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' X' ' 40' ' ' ASP . . . 147.94 -157.1 27.22 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 42' ' ' GLU . . . . . 0.477 ' H ' ' H ' ' X' ' 55' ' ' THR . 9.4 mt-10 -118.8 122.49 42.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.771 0.32 . . . . 0.0 110.153 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' X' ' 43' ' ' TRP . 8.9 m95 -102.73 149.25 24.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.43 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.59 162.35 39.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -120.21 105.7 11.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 46' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' X' ' 51' ' ' THR . 0.4 OUTLIER -96.28 165.94 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.649 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -12.71 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.44 39.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.591 ' O ' ' N ' ' X' ' 51' ' ' THR . 26.3 p -119.25 12.81 12.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.2 mttm 29.56 36.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.538 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 51' ' ' THR . . . . . 0.591 ' N ' ' O ' ' X' ' 49' ' ' THR . 6.6 t -130.11 150.8 51.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 1.2 m-85 -107.55 142.54 37.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.232 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' X' ' 6' ' ' ILE . 75.9 p -128.29 152.12 48.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.431 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' X' ' 43' ' ' TRP . 19.7 t -135.35 124.36 40.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.659 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.55 ' O ' ' C ' ' X' ' 56' ' ' GLU . 8.8 m -124.76 114.63 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.661 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' X' ' 55' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.944 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -126.24 130.23 50.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.395 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' HB2' ' X' ' 20' ' ' ALA . 0.1 OUTLIER -144.04 162.04 37.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.406 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -130.51 144.09 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.387 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.35 105.27 11.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.403 ' N ' HD13 ' X' ' 6' ' ' ILE . 3.1 mm -101.81 121.92 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.62 107.46 16.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.96 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' X' ' 55' ' ' THR . 0.8 OUTLIER -101.95 114.49 28.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.223 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.57 40.89 2.89 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt 71.5 -58.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.58 ' C ' HD12 ' X' ' 12' ' ' LEU . 43.1 p -112.42 1.94 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.754 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.58 HD12 ' C ' ' X' ' 11' ' ' THR . 7.6 mp -125.34 151.1 46.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.38 . . . . 0.0 111.028 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' X' ' 13' ' ' LYS . 9.1 mtmp? -141.3 154.32 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.228 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.42 166.01 31.56 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -140.67 139.57 34.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.85 176.62 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.94 137.81 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -155.16 154.33 32.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 19' ' ' GLU . . . . . 0.646 ' N ' ' OE1' ' X' ' 19' ' ' GLU . 34.4 mp0 -103.98 138.97 39.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.992 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' X' ' 3' ' ' TYR . . . -94.54 147.72 22.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.342 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -178.5 -10.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.757 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.02 42.04 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.94 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.97 20.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.314 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.59 87.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.785 0.326 . . . . 0.0 110.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 39.8 p -75.9 -45.89 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.429 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -57.37 -25.39 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.152 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -63.25 -47.73 81.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.1 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 29' ' ' VAL . . . . . 0.465 HG13 ' H ' ' X' ' 29' ' ' VAL . 0.9 OUTLIER -70.0 -41.69 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.406 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.447 ' N ' ' CG2' ' X' ' 29' ' ' VAL . 0.1 OUTLIER -64.69 -35.11 79.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.136 -179.399 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.956 0.408 . . . . 0.0 109.901 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.29 98.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.621 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -44.81 95.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.749 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -62.98 -42.86 99.96 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -63.54 -43.68 96.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.649 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -29.43 64.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.753 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -89.75 -6.78 55.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.92 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.15 16.09 58.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.557 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 71.9 t -88.09 107.57 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.295 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.47 167.74 15.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.626 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 41' ' ' GLY . . . . . 0.654 ' O ' ' CE2' ' X' ' 43' ' ' TRP . . . 154.03 -170.79 32.65 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.96 116.45 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.654 ' CE2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.65 148.32 26.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.502 . . . . 0.0 111.323 -178.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.12 165.74 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.922 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -106.21 106.87 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.95 131.61 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -46.55 4.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 -28.63 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.673 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.522 ' O ' ' C ' ' X' ' 50' ' ' LYS . 12.4 p -117.48 8.48 12.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 50' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.4 mtmt 28.49 50.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 21.5 m -135.92 145.4 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -117.66 132.8 56.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.543 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' X' ' 6' ' ' ILE . 6.0 t -139.39 157.66 45.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.915 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.541 ' CG1' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -147.3 124.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.948 179.356 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.551 ' O ' ' C ' ' X' ' 56' ' ' GLU . 2.7 m -122.9 115.56 22.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.551 ' C ' ' O ' ' X' ' 55' ' ' THR . 6.9 tt0 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.494 ' C ' ' CD1' ' X' ' 3' ' ' TYR . 47.8 tt0 -125.96 132.16 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' X' ' 23' ' ' ALA . 0.2 OUTLIER -143.02 167.87 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 111.024 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.871 ' C ' HD23 ' X' ' 5' ' ' LEU . 21.9 mtpp -137.95 143.14 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.91 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.895 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -118.32 108.68 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.897 -179.457 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 6' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' X' ' 53' ' ' THR . 37.2 mt -101.36 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.868 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.7 ' O ' HD12 ' X' ' 7' ' ' LEU . 2.3 pp -110.6 121.37 45.14 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.068 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -105.23 114.46 28.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 9' ' ' GLY . . . . . 0.676 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -85.89 48.52 3.98 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 -56.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 109.812 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 11' ' ' THR . . . . . 0.676 ' N ' ' O ' ' X' ' 9' ' ' GLY . 0.0 OUTLIER -112.26 3.38 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.563 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.3 OUTLIER -131.86 143.17 49.97 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -131.57 146.02 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.289 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.65 143.32 8.24 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -131.77 152.41 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.03 170.26 16.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -143.31 134.97 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 11.2 m -148.03 146.08 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -113.98 108.87 17.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 162.99 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.651 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.63 40.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 12.7 p-10 -174.31 53.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.164 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 23' ' ' ALA . . . . . 0.504 ' HB2' ' CE2' ' X' ' 3' ' ' TYR . . . -67.08 -29.32 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.56 89.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 25' ' ' THR . . . . . 0.549 ' O ' HG23 ' X' ' 29' ' ' VAL . 5.9 m -75.41 -44.61 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.47 90.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.89 -46.88 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.93 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -64.48 -42.22 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 29' ' ' VAL . . . . . 0.549 HG23 ' O ' ' X' ' 25' ' ' THR . 60.3 t -66.96 -41.98 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.988 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.42 -38.17 89.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.002 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.44 ' NZ ' HG11 ' X' ' 54' ' ' VAL . 1.9 mmpt? -61.34 -39.49 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.55 -44.57 89.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.46 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.8 -42.33 73.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -61.86 -42.63 99.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.592 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.777 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.7 -3.68 58.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.781 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.42 18.79 34.64 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.535 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.46 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 85.2 t -89.57 108.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.195 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 40' ' ' ASP . . . . . 0.557 ' CG ' ' N ' ' X' ' 41' ' ' GLY . 0.5 OUTLIER -126.62 167.5 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.691 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 41' ' ' GLY . . . . . 0.662 ' O ' ' CZ2' ' X' ' 43' ' ' TRP . . . 157.73 -162.89 32.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 42' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 0.7 OUTLIER -102.75 115.85 31.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.095 179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.662 ' CZ2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.87 149.59 25.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 44' ' ' THR . . . . . 0.423 HG22 ' H ' ' X' ' 45' ' ' TYR . 1.2 m -155.45 166.83 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.635 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 45' ' ' TYR . . . . . 0.423 ' H ' HG22 ' X' ' 44' ' ' THR . 3.4 m-85 -97.29 102.61 14.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.635 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 46' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' X' ' 46' ' ' ASP . 0.9 OUTLIER -105.39 125.53 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.362 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -111.17 -29.46 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.762 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.06 -20.27 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 49' ' ' THR . . . . . 0.608 ' O ' ' N ' ' X' ' 51' ' ' THR . 67.6 p -104.8 6.48 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.754 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 40.06 18.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 51' ' ' THR . . . . . 0.608 ' N ' ' O ' ' X' ' 49' ' ' THR . 9.2 t -148.33 144.94 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.741 ' CD1' ' N ' ' X' ' 53' ' ' THR . 0.0 OUTLIER -109.55 161.25 15.53 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.741 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 9.3 t -144.59 153.42 41.77 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.877 -0.729 . . . . 0.0 112.335 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.44 HG11 ' NZ ' ' X' ' 31' ' ' LYS . 2.2 p -142.08 123.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.253 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.546 ' O ' ' C ' ' X' ' 56' ' ' GLU . 10.3 m -124.65 115.47 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.077 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' X' ' 55' ' ' THR . 11.5 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 1' ' ' MET . . . . . 0.559 ' CG ' ' N ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 2' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' X' ' 1' ' ' MET . 9.8 mt-30 -102.15 136.24 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.405 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 3' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' X' ' 1' ' ' MET . 62.5 m-85 -130.99 165.78 22.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.555 ' C ' HD23 ' X' ' 5' ' ' LEU . 4.8 mttm -128.75 138.63 52.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.779 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.585 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -122.77 119.68 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.593 -179.723 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.5 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.87 123.55 48.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.257 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -102.59 114.49 28.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.767 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 9' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -81.6 28.4 3.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 10' ' ' LYS . . . . . 0.461 ' CG ' ' C ' ' X' ' 9' ' ' GLY . 3.7 mtmm 76.15 -58.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 109.977 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -111.67 -3.57 14.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' X' ' 9' ' ' GLY . 4.9 mt -138.63 151.1 46.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -132.64 151.23 52.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.77 158.74 29.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 15' ' ' GLU . . . . . 0.571 ' CD ' ' N ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -137.04 144.38 43.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.533 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.68 170.15 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.561 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -126.31 151.79 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -155.1 142.73 19.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 110.974 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.0 105.67 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.219 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.06 176.17 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 21' ' ' VAL . . . . . 0.555 ' O ' ' OD1' ' X' ' 22' ' ' ASP . 3.1 m -94.99 8.91 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' X' ' 21' ' ' VAL . 34.6 m-20 -178.61 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.81 63.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.142 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.37 88.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -44.08 64.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.033 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.79 88.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.63 -28.81 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.729 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -60.39 -46.33 90.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 29' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' X' ' 30' ' ' PHE . 0.6 OUTLIER -66.09 -41.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.27 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 30' ' ' PHE . . . . . 0.473 ' N ' ' CG2' ' X' ' 29' ' ' VAL . 0.2 OUTLIER -65.05 -34.05 77.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.715 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 31' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' X' ' 35' ' ' ASN . 0.0 OUTLIER -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.0 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.119 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.86 -38.49 88.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.149 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 34' ' ' ALA . . . . . 0.472 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -71.14 -37.66 72.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 35' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' X' ' 31' ' ' LYS . 54.0 t30 -56.67 -36.81 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.803 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -26.28 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.813 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -87.37 -7.84 57.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.957 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.19 23.32 22.59 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.817 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 39' ' ' VAL . . . . . 0.472 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 53.5 t -80.53 108.68 14.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.066 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 40' ' ' ASP . . . . . 0.572 ' O ' ' OXT' ' X' ' 56' ' ' GLU . 0.3 OUTLIER -126.32 167.14 15.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.207 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 41' ' ' GLY . . . . . 0.59 ' HA3' HG12 ' X' ' 54' ' ' VAL . . . 143.37 -171.9 24.97 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 42' ' ' GLU . . . . . 0.546 ' H ' ' H ' ' X' ' 55' ' ' THR . 3.2 tt0 -96.57 115.68 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.784 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 43' ' ' TRP . . . . . 0.583 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -106.66 149.71 26.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.701 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -156.56 164.92 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.083 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 101.61 10.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -115.03 144.06 44.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.05 -25.21 4.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.38 -31.59 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -3.32 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 53.14 45.6 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -148.65 146.12 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.465 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 52' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' X' ' 4' ' ' LYS . 5.9 m-85 -107.89 154.41 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 53' ' ' THR . . . . . 0.499 ' O ' ' O ' ' X' ' 42' ' ' GLU . 4.6 m -143.49 143.04 31.4 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 112.186 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 54' ' ' VAL . . . . . 0.59 HG12 ' HA3' ' X' ' 41' ' ' GLY . 2.3 t -135.24 122.43 35.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.928 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 55' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' X' ' 56' ' ' GLU . 45.1 m -125.52 114.61 19.01 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.194 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 56' ' ' GLU . . . . . 0.636 ' CB ' ' O ' ' X' ' 55' ' ' THR . 7.5 tp10 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.995 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -124.98 132.09 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -128.95 167.94 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' X' ' 15' ' ' GLU . 4.1 tttm -127.27 140.13 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.206 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' X' ' 5' ' ' LEU . 0.2 OUTLIER -123.83 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.685 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 52.8 mt -107.61 106.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.806 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.554 ' O ' HD12 ' X' ' 7' ' ' LEU . 0.3 OUTLIER -113.58 114.08 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -98.39 114.82 27.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.159 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -87.86 47.74 3.6 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.58 -56.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 0.0 109.883 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.667 ' N ' ' O ' ' X' ' 9' ' ' GLY . 9.8 p -111.95 2.8 17.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.183 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.65 HD13 ' H ' ' X' ' 13' ' ' LYS . 0.1 OUTLIER -131.2 132.42 44.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 -179.3 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.65 ' H ' HD13 ' X' ' 12' ' ' LEU . 0.0 OUTLIER -131.97 139.48 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.108 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.92 141.79 7.74 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 15' ' ' GLU . . . . . 0.461 ' HB2' ' NZ ' ' X' ' 4' ' ' LYS . 1.3 pm0 -127.62 139.7 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.362 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 1.3 t -143.15 161.16 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 4.2 p -128.32 139.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -144.06 144.57 31.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.48 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 22.3 mp0 -108.24 110.11 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.611 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 174.16 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 21' ' ' VAL . . . . . 0.491 ' O ' HG12 ' X' ' 21' ' ' VAL . 17.0 t -117.11 1.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.33 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 1.2 p-10 -137.66 74.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.88 75.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.607 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.453 ' OG1' ' OD2' ' X' ' 22' ' ' ASP . 30.5 p -75.11 -45.3 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.96 97.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -58.53 -41.93 86.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -45.58 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.988 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 26.8 t -63.21 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.793 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -36.48 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.163 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -62.59 -50.82 69.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.81 -33.9 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -72.46 -44.33 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.595 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.648 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -57.99 -42.27 84.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.168 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 36' ' ' ASP . . . . . 0.577 ' O ' ' OD1' ' X' ' 36' ' ' ASP . 38.6 t0 -66.42 -27.35 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.362 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.79 -1.26 57.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.247 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.49 23.28 21.98 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.648 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 48.8 t -99.03 108.97 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.533 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.39 167.35 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 41' ' ' GLY . . . . . 0.507 ' C ' ' OE1' ' X' ' 42' ' ' GLU . . . 147.99 -150.0 22.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 42' ' ' GLU . . . . . 0.578 ' H ' ' H ' ' X' ' 55' ' ' THR . 0.0 OUTLIER -111.42 116.39 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.62 ' CD1' HG13 ' X' ' 54' ' ' VAL . 0.0 OUTLIER -104.82 150.04 25.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.33 169.12 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -113.98 104.95 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.763 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.66 122.43 36.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.268 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -92.47 -32.29 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.02 -27.45 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.665 ' O ' ' N ' ' X' ' 51' ' ' THR . 48.6 p -119.25 7.19 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.991 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' X' ' 49' ' ' THR . 0.0 OUTLIER 30.76 31.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.521 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 51' ' ' THR . . . . . 0.665 ' N ' ' O ' ' X' ' 49' ' ' THR . 1.2 t -118.63 147.46 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.409 ' HB2' HD22 ' X' ' 5' ' ' LEU . 7.1 m-85 -112.15 146.01 38.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -136.91 141.64 42.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' X' ' 43' ' ' TRP . 0.9 OUTLIER -135.45 124.81 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.081 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.578 ' H ' ' H ' ' X' ' 42' ' ' GLU . 67.1 m -124.1 115.46 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.062 0.458 . . . . 0.0 111.346 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.61 179.504 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.989 ' H3 ' ' HB3' ' X' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -126.61 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.26 169.04 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -126.75 141.45 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.21 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.09 104.83 7.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.536 ' C ' HD23 ' X' ' 7' ' ' LEU . 74.6 mt -109.79 110.93 33.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.799 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.899 ' N ' HD23 ' X' ' 7' ' ' LEU . 0.0 OUTLIER -92.69 106.32 18.32 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' X' ' 54' ' ' VAL . 29.4 t30 -87.35 114.06 23.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.453 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 9' ' ' GLY . . . . . 0.696 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -109.02 146.44 16.65 Favored Glycine 0 C--N 1.321 -0.3 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' X' ' 9' ' ' GLY . 12.2 tttt -32.35 -64.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.95 8.5 20.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.1 OUTLIER -132.59 128.24 36.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.842 -179.239 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 142.76 32.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.744 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.75 173.56 35.09 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.452 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.16 146.49 48.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.698 0.285 . . . . 0.0 110.346 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.56 163.21 31.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.675 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.58 136.95 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 21.1 p -147.9 153.88 39.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.616 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' GLU . . . . . 0.66 ' CD ' ' H ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -103.95 137.94 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.989 ' HB3' ' H3 ' ' X' ' 1' ' ' MET . . . -95.36 162.75 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 0.0 111.7 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 21' ' ' VAL . . . . . 0.742 HG23 ' O ' ' X' ' 20' ' ' ALA . 1.4 t 153.54 -7.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.585 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.0 39.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.411 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -52.45 -25.2 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.149 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.67 89.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.201 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.442 ' O ' HG23 ' X' ' 29' ' ' VAL . 4.4 m -76.24 -44.96 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.833 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.23 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.221 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 10.7 tp10 -60.38 -33.96 73.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.171 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -63.1 -46.3 88.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 29' ' ' VAL . . . . . 0.467 ' H ' HG23 ' X' ' 29' ' ' VAL . 0.2 OUTLIER -68.82 -40.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.994 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.19 -34.62 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -58.78 -49.55 77.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.007 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -33.94 72.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.303 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -39.33 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.656 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.11 -45.79 69.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.036 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -64.65 -43.64 92.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.238 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -66.43 -28.11 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.65 0.04 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.511 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.36 9.97 58.65 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.695 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.656 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 13.9 t -88.39 108.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.101 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.55 160.13 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.42 . . . . 0.0 110.964 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 41' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' X' ' 55' ' ' THR . . . 150.75 -149.25 21.07 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 42' ' ' GLU . . . . . 0.626 ' H ' ' H ' ' X' ' 55' ' ' THR . 1.9 mm-40 -117.08 116.47 27.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.578 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -111.91 148.31 33.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.301 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -157.07 169.32 25.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.477 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.46 101.91 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.159 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 46' ' ' ASP . . . . . 0.518 ' OD1' ' OG1' ' X' ' 49' ' ' THR . 0.4 OUTLIER -104.67 117.07 33.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.731 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.98 -26.12 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -36.9 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.687 ' OG1' HG22 ' X' ' 51' ' ' THR . 63.4 p -116.64 -0.38 12.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.107 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mttp 47.08 47.99 15.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 51' ' ' THR . . . . . 0.687 HG22 ' OG1' ' X' ' 49' ' ' THR . 10.6 t -148.07 151.56 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.435 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -105.4 137.13 43.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.391 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 24.5 m -130.29 138.58 50.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' X' ' 8' ' ' ASN . 4.6 t -127.96 124.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.388 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.626 ' H ' ' H ' ' X' ' 42' ' ' GLU . 21.8 m -124.78 116.96 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.562 ' OE1' ' N ' ' X' ' 56' ' ' GLU . 5.0 pm0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.65 ' OE1' ' NZ ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -104.41 131.82 51.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.378 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.501 ' OH ' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -144.32 140.73 29.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.068 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.65 ' NZ ' ' OE1' ' X' ' 2' ' ' GLN . 8.5 mtmm -131.77 141.51 49.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -128.59 103.39 7.07 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.426 ' O ' HG23 ' X' ' 6' ' ' ILE . 3.2 tt -115.75 107.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.978 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.1 OUTLIER -104.88 105.91 16.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.133 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -113.8 112.64 23.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.95 -144.33 6.0 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.663 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.429 ' HB3' ' H ' ' X' ' 11' ' ' THR . 10.7 tptt -55.15 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.643 0.259 . . . . 0.0 110.778 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.429 ' H ' ' HB3' ' X' ' 10' ' ' LYS . 2.3 p -111.7 8.27 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.886 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -112.46 114.08 26.59 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -144.46 138.95 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.246 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.9 172.31 42.6 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -135.31 139.31 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -146.05 169.23 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.88 143.94 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.7 139.15 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.384 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 19' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' X' ' 19' ' ' GLU . 14.7 mp0 -111.84 105.44 13.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.6 157.17 40.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.47 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.13 6.84 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.395 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.07 58.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' X' ' 27' ' ' GLU . . . -72.14 -28.55 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.35 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.445 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.49 ' O ' HG12 ' X' ' 29' ' ' VAL . 3.0 p -75.41 -43.72 48.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.596 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' CG1' ' X' ' 29' ' ' VAL . . . -62.68 -40.2 96.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.018 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' X' ' 23' ' ' ALA . 40.6 mt-10 -57.44 -43.4 83.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -68.23 -46.38 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.722 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 29' ' ' VAL . . . . . 0.49 HG12 ' O ' ' X' ' 25' ' ' THR . 2.8 p -68.14 -44.49 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' X' ' 34' ' ' ALA . 0.2 OUTLIER -62.78 -36.61 83.68 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.025 -179.364 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' X' ' 35' ' ' ASN . 1.8 mttt -58.08 -45.83 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -73.68 -49.6 25.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.21 -44.63 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.849 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' X' ' 30' ' ' PHE . . . -64.73 -41.52 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 35' ' ' ASN . . . . . 0.541 ' CG ' ' O ' ' X' ' 31' ' ' LYS . 8.6 m120 -62.91 -39.52 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.4 -26.87 68.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.431 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -85.95 -6.22 59.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.842 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.57 20.73 28.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.511 ' O ' ' ND2' ' X' ' 35' ' ' ASN . 53.7 t -86.4 108.51 17.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.339 -0.545 . . . . 0.0 109.769 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 167.4 16.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 0.0 111.158 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 41' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' X' ' 55' ' ' THR . . . 144.08 -157.85 27.25 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 42' ' ' GLU . . . . . 0.55 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.7 tt0 -109.69 116.38 31.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -104.42 149.63 25.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -178.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 44' ' ' THR . . . . . 0.437 ' O ' ' CE2' ' X' ' 52' ' ' PHE . 0.3 OUTLIER -151.29 169.4 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.36 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 101.57 10.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.656 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.7 141.27 29.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.406 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.47 -31.09 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.64 65.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.456 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -2.64 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.32 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mttp 53.01 57.12 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 2.9 t -143.9 150.27 38.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' OH ' ' X' ' 3' ' ' TYR . 0.2 OUTLIER -107.12 134.51 50.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.159 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.57 137.09 55.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 111.389 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' X' ' 42' ' ' GLU . 93.6 t -135.08 123.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.845 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.55 ' H ' ' H ' ' X' ' 42' ' ' GLU . 58.0 m -124.94 114.66 19.45 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.466 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' X' ' 55' ' ' THR . 2.3 tp10 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.68 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.57 ' CG ' ' H ' ' X' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.57 ' H ' ' CG ' ' X' ' 1' ' ' MET . 1.9 mt-30 -126.78 123.01 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -135.88 148.38 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.552 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -133.9 142.97 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.229 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.98 105.21 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.169 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -102.04 106.83 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.915 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.538 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.2 OUTLIER -113.44 124.7 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.613 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -103.83 114.28 28.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -83.66 45.64 3.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? 62.46 -55.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.269 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.623 ' N ' ' O ' ' X' ' 9' ' ' GLY . 7.9 t -112.24 5.76 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' X' ' 12' ' ' LEU . 16.0 tp -138.39 146.39 42.18 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -135.06 148.04 49.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.671 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.98 160.43 28.14 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.796 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 15' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' X' ' 16' ' ' THR . 0.5 OUTLIER -138.72 138.55 37.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 16' ' ' THR . . . . . 0.544 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 2.8 t -144.17 166.34 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 111.023 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 17' ' ' THR . . . . . 0.429 ' O ' HG23 ' X' ' 18' ' ' THR . 0.7 OUTLIER -138.92 132.08 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.388 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 18' ' ' THR . . . . . 0.429 HG23 ' O ' ' X' ' 17' ' ' THR . 23.7 p -154.61 146.07 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.614 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -110.83 113.74 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.32 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' X' ' 1' ' ' MET . . . -141.39 167.55 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.811 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 21' ' ' VAL . . . . . 0.697 HG22 ' O ' ' X' ' 21' ' ' VAL . 14.5 p -129.11 14.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.395 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' X' ' 26' ' ' ALA . 0.5 OUTLIER -116.31 78.01 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.72 -45.59 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.796 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.07 94.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.882 ' O ' HG23 ' X' ' 29' ' ' VAL . 0.2 OUTLIER -76.11 -42.46 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.198 -179.731 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 26' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' X' ' 22' ' ' ASP . . . -66.12 -42.45 89.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.839 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.543 ' CD ' ' N ' ' X' ' 28' ' ' LYS . 1.9 pp20? -57.28 -45.12 84.4 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.227 -178.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 28' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' X' ' 27' ' ' GLU . 11.8 tttt -69.3 -41.12 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.442 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 29' ' ' VAL . . . . . 0.882 HG23 ' O ' ' X' ' 25' ' ' THR . 40.6 t -68.63 -39.33 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.531 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -35.21 75.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.598 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -31.22 71.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.434 . . . . 0.0 109.969 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.07 -49.36 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.39 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 33' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 0.0 OUTLIER -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.294 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.885 ' HB1' HG23 ' X' ' 39' ' ' VAL . . . -61.71 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.24 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.1 -45.78 86.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.145 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.4 -28.41 68.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -9.35 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.709 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.41 17.77 63.68 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.193 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.885 HG23 ' HB1' ' X' ' 34' ' ' ALA . 5.1 m -99.44 109.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.037 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -126.05 167.94 14.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.218 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 41' ' ' GLY . . . . . 0.446 ' HA3' HG12 ' X' ' 54' ' ' VAL . . . 157.73 -153.82 24.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 42' ' ' GLU . . . . . 0.597 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.9 mt-10 -96.26 116.04 28.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.8 149.54 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.348 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.5 138.71 20.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.621 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 102.53 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.056 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.65 119.88 38.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.193 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -23.59 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.692 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.65 -33.02 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.459 ' O ' ' C ' ' X' ' 50' ' ' LYS . 2.1 p -119.68 9.46 11.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' X' ' 49' ' ' THR . 9.8 mttt 34.48 56.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 38.3 m -137.94 135.39 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 111.046 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.88 148.23 29.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.056 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -143.51 135.8 27.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.066 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.446 HG12 ' HA3' ' X' ' 41' ' ' GLY . 6.6 t -135.92 123.76 35.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.453 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.597 ' H ' ' H ' ' X' ' 42' ' ' GLU . 3.2 m -125.0 115.6 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.689 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.572 ' C ' ' O ' ' X' ' 55' ' ' THR . 1.9 pp20? . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.932 -1.032 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttm . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.76 129.21 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.115 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -138.14 141.19 40.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.295 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.644 ' O ' ' N ' ' X' ' 52' ' ' PHE . 0.4 OUTLIER -121.97 134.02 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.213 179.09 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.543 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -131.39 105.75 7.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.811 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.433 ' H ' HG12 ' X' ' 6' ' ' ILE . 1.5 pt -109.16 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.69 ' N ' HD23 ' X' ' 7' ' ' LEU . 0.2 OUTLIER -114.32 130.66 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.364 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' X' ' 10' ' ' LYS . 0.5 OUTLIER -109.77 114.17 27.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.97 178.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 9' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' X' ' 10' ' ' LYS . . . -78.07 32.83 1.74 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' X' ' 9' ' ' GLY . 1.8 tttp 91.5 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.935 0.398 . . . . 0.0 110.45 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.565 ' O ' HD23 ' X' ' 12' ' ' LEU . 3.2 m -111.86 -6.52 14.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.82 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.565 HD23 ' O ' ' X' ' 11' ' ' THR . 22.2 mt -124.97 125.64 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.74 149.29 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.412 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.45 -179.54 30.65 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -130.02 139.22 51.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.599 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.5 147.97 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 17' ' ' THR . . . . . 0.423 ' O ' HG23 ' X' ' 17' ' ' THR . 14.7 t -132.76 132.85 42.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.652 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -144.45 134.78 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 19' ' ' GLU . . . . . 0.641 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -118.42 105.91 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.4 175.11 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.38 42.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.047 0.451 . . . . 0.0 110.315 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' X' ' 23' ' ' ALA . 0.2 OUTLIER 177.47 13.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.848 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -52.85 -22.32 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.87 79.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.634 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.422 ' H ' ' HG1' ' X' ' 25' ' ' THR . 16.5 p -74.66 -47.03 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.095 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.73 -41.31 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.851 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.598 ' O ' ' NZ ' ' X' ' 31' ' ' LYS . 3.8 mm-40 -57.88 -37.96 74.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -60.45 -35.85 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.36 -41.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.38 -29.45 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.598 ' NZ ' ' O ' ' X' ' 27' ' ' GLU . 27.5 mmtm -73.04 -35.87 66.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -63.29 -42.99 99.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.86 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.0 -37.46 78.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.41 -38.02 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.477 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.94 -46.99 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.89 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -25.43 67.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.954 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -85.91 -6.72 59.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.037 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.22 22.92 23.65 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.609 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 66.1 t -87.82 108.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.447 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -127.0 167.51 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.02 -179.61 32.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 42' ' ' GLU . . . . . 0.469 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 4.1 pt-20 -88.05 116.87 26.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.441 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.541 ' CD2' HG11 ' X' ' 54' ' ' VAL . 87.2 m95 -102.2 148.15 25.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.6 t -156.2 169.51 24.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.752 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.485 ' HA ' ' CZ ' ' X' ' 52' ' ' PHE . 15.7 m-85 -113.36 102.34 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.41 146.65 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -129.03 -36.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.45 -36.66 61.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.407 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER -119.56 6.36 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.345 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' X' ' 49' ' ' THR . 11.0 mtmm 39.08 59.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.418 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -148.29 136.82 21.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.785 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.644 ' N ' ' O ' ' X' ' 4' ' ' LYS . 3.7 m-30 -106.25 141.63 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.57 141.6 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.178 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.541 HG11 ' CD2' ' X' ' 43' ' ' TRP . 1.4 m -147.5 123.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.623 ' O ' ' C ' ' X' ' 56' ' ' GLU . 0.2 OUTLIER -125.56 116.77 22.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.565 179.77 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' X' ' 55' ' ' THR . 42.6 tp10 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.014 -0.994 . . . . 0.0 111.346 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 33.6 mtt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.14 140.91 30.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.512 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' X' ' 3' ' ' TYR . 25.9 p90 -144.11 167.87 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.51 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -127.04 139.51 52.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.861 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.53 105.1 14.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.99 110.61 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' X' ' 54' ' ' VAL . 0.5 OUTLIER -107.54 105.38 15.25 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.361 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' X' ' 8' ' ' ASN . 0.6 OUTLIER -117.73 112.23 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.783 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.22 -154.44 6.51 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.633 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.439 ' HB2' ' HZ3' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -53.16 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 110.236 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.514 ' C ' HD12 ' X' ' 12' ' ' LEU . 6.5 m -111.71 6.8 20.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.702 HD12 ' N ' ' X' ' 12' ' ' LEU . 7.5 mp -103.61 121.81 43.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -142.72 139.2 31.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.34 152.8 21.27 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -140.94 138.49 33.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.504 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -142.9 166.31 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.444 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 132.83 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.771 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -150.46 138.24 19.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -112.34 119.54 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.638 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.13 169.93 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 35.5 m -107.58 19.51 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -159.79 59.17 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' X' ' 27' ' ' GLU . . . -73.22 -25.05 60.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 3.8 m -74.56 -45.81 43.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' X' ' 23' ' ' ALA . 18.3 mm-40 -57.68 -39.63 77.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -63.7 -46.68 84.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -68.77 -41.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.582 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.52 -29.34 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.004 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.75 -51.3 67.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.045 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -63.97 -34.48 78.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.974 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.4 -34.81 68.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.092 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -71.33 -42.51 68.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -27.39 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.049 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.86 -33.7 74.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.044 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 37' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' X' ' 37' ' ' ASN . 10.2 t-20 -89.5 -1.85 58.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.749 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 38' ' ' GLY . . . . . 0.489 ' O ' ' OD1' ' X' ' 40' ' ' ASP . . . 94.77 23.63 20.22 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.53 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.542 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 24.0 t -86.92 108.54 18.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.303 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 40' ' ' ASP . . . . . 0.587 ' OD2' ' OE1' ' X' ' 56' ' ' GLU . 0.0 OUTLIER -126.17 168.43 14.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.15 -173.28 25.65 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 42' ' ' GLU . . . . . 0.478 ' H ' ' H ' ' X' ' 55' ' ' THR . 27.8 tt0 -96.16 121.65 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.767 ' CE2' HG11 ' X' ' 54' ' ' VAL . 15.0 m95 -103.14 148.1 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 0.0 110.991 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.05 137.84 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.898 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.768 ' CD1' ' N ' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -90.64 101.73 14.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.146 179.677 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -103.2 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.04 -24.07 20.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.38 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.434 ' O ' ' C ' ' X' ' 50' ' ' LYS . 72.0 p -118.84 6.52 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.203 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.7 mttm 36.18 49.64 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.419 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -141.38 142.02 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -107.02 139.84 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.022 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.435 ' O ' ' O ' ' X' ' 42' ' ' GLU . 0.6 OUTLIER -133.35 131.22 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.767 HG11 ' CE2' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -128.77 123.55 59.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.444 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.478 ' H ' ' H ' ' X' ' 42' ' ' GLU . 24.2 p -125.48 115.54 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.389 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.587 ' OE1' ' OD2' ' X' ' 40' ' ' ASP . 2.4 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.348 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.22 129.22 52.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -133.39 165.86 23.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.317 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.524 ' C ' HD23 ' X' ' 5' ' ' LEU . 28.1 mttp -133.67 131.82 39.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.56 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -114.4 103.72 11.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.043 179.811 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' X' ' 53' ' ' THR . 8.1 mt -102.05 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.429 ' CB ' ' HB ' ' X' ' 54' ' ' VAL . 0.2 OUTLIER -98.43 107.06 19.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.797 -179.249 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.408 ' OD1' ' CD ' ' X' ' 13' ' ' LYS . 0.5 OUTLIER -92.35 112.99 25.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 9' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -98.66 161.67 20.4 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' X' ' 9' ' ' GLY . 1.2 tttt -39.02 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' X' ' 10' ' ' LYS . 8.6 t -112.18 7.82 19.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.607 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.8 OUTLIER -132.27 139.25 48.18 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.464 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.458 ' N ' ' HG ' ' X' ' 12' ' ' LEU . 5.5 mtmp? -136.38 156.37 48.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.809 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.41 138.52 5.49 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.387 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 15' ' ' GLU . . . . . 0.551 ' OE2' ' O ' ' X' ' 15' ' ' GLU . 0.7 OUTLIER -133.46 138.7 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.135 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.25 175.73 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.68 134.78 48.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.212 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.45 148.11 29.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.73 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.92 110.59 20.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.24 157.45 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 21' ' ' VAL . . . . . 0.545 HG22 ' O ' ' X' ' 21' ' ' VAL . 9.9 p -108.69 22.8 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.448 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.86 41.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -53.96 -23.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.634 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.52 88.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.32 -46.44 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.33 84.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 16.1 tp10 -60.28 -39.87 88.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -39.64 89.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 109.966 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 19.8 t -67.26 -41.51 86.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.81 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' X' ' 34' ' ' ALA . 1.4 m-85 -63.35 -26.36 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -56.77 -30.87 64.05 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -69.78 -45.01 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -35.6 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.815 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.695 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -63.03 -46.28 88.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -56.79 -46.05 81.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.949 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.31 -24.19 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.7 -5.59 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 19.75 31.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.695 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 56.2 t -105.16 108.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.533 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 40' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' X' ' 41' ' ' GLY . 45.6 t0 -127.19 163.44 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.204 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 41' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' X' ' 40' ' ' ASP . . . 147.94 -157.1 27.22 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 42' ' ' GLU . . . . . 0.477 ' H ' ' H ' ' X' ' 55' ' ' THR . 9.4 mt-10 -118.8 122.49 42.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.771 0.32 . . . . 0.0 110.153 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' X' ' 43' ' ' TRP . 8.9 m95 -102.73 149.25 24.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.43 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.59 162.35 39.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -120.21 105.7 11.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 46' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' X' ' 51' ' ' THR . 0.4 OUTLIER -96.28 165.94 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.649 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -12.71 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.44 39.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.591 ' O ' ' N ' ' X' ' 51' ' ' THR . 26.3 p -119.25 12.81 12.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.2 mttm 29.56 36.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.538 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 51' ' ' THR . . . . . 0.591 ' N ' ' O ' ' X' ' 49' ' ' THR . 6.6 t -130.11 150.8 51.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 1.2 m-85 -107.55 142.54 37.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.232 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' X' ' 6' ' ' ILE . 75.9 p -128.29 152.12 48.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.431 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' X' ' 43' ' ' TRP . 19.7 t -135.35 124.36 40.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.659 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.55 ' O ' ' C ' ' X' ' 56' ' ' GLU . 8.8 m -124.76 114.63 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.661 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' X' ' 55' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.944 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -126.24 130.23 50.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.395 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' HB2' ' X' ' 20' ' ' ALA . 0.1 OUTLIER -144.04 162.04 37.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.406 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -130.51 144.09 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.387 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.35 105.27 11.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.403 ' N ' HD13 ' X' ' 6' ' ' ILE . 3.1 mm -101.81 121.92 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.62 107.46 16.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.96 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' X' ' 55' ' ' THR . 0.8 OUTLIER -101.95 114.49 28.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.223 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.57 40.89 2.89 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt 71.5 -58.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.58 ' C ' HD12 ' X' ' 12' ' ' LEU . 43.1 p -112.42 1.94 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.754 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.58 HD12 ' C ' ' X' ' 11' ' ' THR . 7.6 mp -125.34 151.1 46.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.38 . . . . 0.0 111.028 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' X' ' 13' ' ' LYS . 9.1 mtmp? -141.3 154.32 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.228 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.42 166.01 31.56 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -140.67 139.57 34.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.85 176.62 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.94 137.81 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -155.16 154.33 32.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 19' ' ' GLU . . . . . 0.646 ' N ' ' OE1' ' X' ' 19' ' ' GLU . 34.4 mp0 -103.98 138.97 39.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.992 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' X' ' 3' ' ' TYR . . . -94.54 147.72 22.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.342 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -178.5 -10.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.757 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.02 42.04 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.94 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.97 20.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.314 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.59 87.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.785 0.326 . . . . 0.0 110.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 39.8 p -75.9 -45.89 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.429 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -57.37 -25.39 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.152 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -63.25 -47.73 81.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.1 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 29' ' ' VAL . . . . . 0.465 HG13 ' H ' ' X' ' 29' ' ' VAL . 0.9 OUTLIER -70.0 -41.69 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.406 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.447 ' N ' ' CG2' ' X' ' 29' ' ' VAL . 0.1 OUTLIER -64.69 -35.11 79.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.136 -179.399 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.956 0.408 . . . . 0.0 109.901 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.29 98.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.621 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -44.81 95.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.749 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -62.98 -42.86 99.96 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -63.54 -43.68 96.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.649 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -29.43 64.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.753 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -89.75 -6.78 55.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.92 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.15 16.09 58.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.557 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 71.9 t -88.09 107.57 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.295 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.47 167.74 15.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.626 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 41' ' ' GLY . . . . . 0.654 ' O ' ' CE2' ' X' ' 43' ' ' TRP . . . 154.03 -170.79 32.65 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.96 116.45 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.654 ' CE2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.65 148.32 26.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.502 . . . . 0.0 111.323 -178.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.12 165.74 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.922 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -106.21 106.87 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.95 131.61 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -46.55 4.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 -28.63 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.673 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.522 ' O ' ' C ' ' X' ' 50' ' ' LYS . 12.4 p -117.48 8.48 12.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 50' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.4 mtmt 28.49 50.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 21.5 m -135.92 145.4 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -117.66 132.8 56.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.543 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' X' ' 6' ' ' ILE . 6.0 t -139.39 157.66 45.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.915 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.541 ' CG1' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -147.3 124.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.948 179.356 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.551 ' O ' ' C ' ' X' ' 56' ' ' GLU . 2.7 m -122.9 115.56 22.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.551 ' C ' ' O ' ' X' ' 55' ' ' THR . 6.9 tt0 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.494 ' C ' ' CD1' ' X' ' 3' ' ' TYR . 47.8 tt0 -125.96 132.16 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' X' ' 23' ' ' ALA . 0.2 OUTLIER -143.02 167.87 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 111.024 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.871 ' C ' HD23 ' X' ' 5' ' ' LEU . 21.9 mtpp -137.95 143.14 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.91 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.895 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -118.32 108.68 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.897 -179.457 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' X' ' 53' ' ' THR . 37.2 mt -101.36 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.868 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.7 ' O ' HD12 ' X' ' 7' ' ' LEU . 2.3 pp -110.6 121.37 45.14 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.068 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -105.23 114.46 28.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 9' ' ' GLY . . . . . 0.676 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -85.89 48.52 3.98 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 -56.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 109.812 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 11' ' ' THR . . . . . 0.676 ' N ' ' O ' ' X' ' 9' ' ' GLY . 0.0 OUTLIER -112.26 3.38 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.563 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.3 OUTLIER -131.86 143.17 49.97 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -131.57 146.02 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.289 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.65 143.32 8.24 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -131.77 152.41 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.03 170.26 16.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -143.31 134.97 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 11.2 m -148.03 146.08 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -113.98 108.87 17.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 162.99 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.651 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.63 40.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.506 ' N ' ' OD1' ' X' ' 22' ' ' ASP . 12.7 p-10 -174.31 53.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.164 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 23' ' ' ALA . . . . . 0.504 ' HB2' ' CE2' ' X' ' 3' ' ' TYR . . . -67.08 -29.32 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.56 89.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 25' ' ' THR . . . . . 0.549 ' O ' HG23 ' X' ' 29' ' ' VAL . 5.9 m -75.41 -44.61 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.47 90.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.89 -46.88 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.93 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -64.48 -42.22 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 29' ' ' VAL . . . . . 0.549 HG23 ' O ' ' X' ' 25' ' ' THR . 60.3 t -66.96 -41.98 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.988 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.42 -38.17 89.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.002 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.44 ' NZ ' HG11 ' X' ' 54' ' ' VAL . 1.9 mmpt? -61.34 -39.49 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.55 -44.57 89.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.46 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.8 -42.33 73.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -61.86 -42.63 99.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.592 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.777 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.7 -3.68 58.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.781 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.42 18.79 34.64 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.535 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.46 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 85.2 t -89.57 108.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.195 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 40' ' ' ASP . . . . . 0.557 ' CG ' ' N ' ' X' ' 41' ' ' GLY . 0.5 OUTLIER -126.62 167.5 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.691 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 41' ' ' GLY . . . . . 0.662 ' O ' ' CZ2' ' X' ' 43' ' ' TRP . . . 157.73 -162.89 32.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 42' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 0.7 OUTLIER -102.75 115.85 31.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.095 179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.662 ' CZ2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.87 149.59 25.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 44' ' ' THR . . . . . 0.423 HG22 ' H ' ' X' ' 45' ' ' TYR . 1.2 m -155.45 166.83 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.635 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 45' ' ' TYR . . . . . 0.423 ' H ' HG22 ' X' ' 44' ' ' THR . 3.4 m-85 -97.29 102.61 14.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.635 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 46' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' X' ' 46' ' ' ASP . 0.9 OUTLIER -105.39 125.53 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.362 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -111.17 -29.46 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.762 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.06 -20.27 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 49' ' ' THR . . . . . 0.608 ' O ' ' N ' ' X' ' 51' ' ' THR . 67.6 p -104.8 6.48 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.754 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 40.06 18.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 51' ' ' THR . . . . . 0.608 ' N ' ' O ' ' X' ' 49' ' ' THR . 9.2 t -148.33 144.94 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.741 ' CD1' ' N ' ' X' ' 53' ' ' THR . 0.0 OUTLIER -109.55 161.25 15.53 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.741 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 9.3 t -144.59 153.42 41.77 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.877 -0.729 . . . . 0.0 112.335 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.44 HG11 ' NZ ' ' X' ' 31' ' ' LYS . 2.2 p -142.08 123.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.253 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.546 ' O ' ' C ' ' X' ' 56' ' ' GLU . 10.3 m -124.65 115.47 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.077 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' X' ' 55' ' ' THR . 11.5 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 1' ' ' MET . . . . . 0.559 ' CG ' ' N ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 2' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' X' ' 1' ' ' MET . 9.8 mt-30 -102.15 136.24 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.405 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 3' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' X' ' 1' ' ' MET . 62.5 m-85 -130.99 165.78 22.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.555 ' C ' HD23 ' X' ' 5' ' ' LEU . 4.8 mttm -128.75 138.63 52.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.779 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.585 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -122.77 119.68 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.593 -179.723 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.5 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.87 123.55 48.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.257 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -102.59 114.49 28.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.767 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 9' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -81.6 28.4 3.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 10' ' ' LYS . . . . . 0.461 ' CG ' ' C ' ' X' ' 9' ' ' GLY . 3.7 mtmm 76.15 -58.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 109.977 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -111.67 -3.57 14.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' X' ' 9' ' ' GLY . 4.9 mt -138.63 151.1 46.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -132.64 151.23 52.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.77 158.74 29.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 15' ' ' GLU . . . . . 0.571 ' CD ' ' N ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -137.04 144.38 43.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.533 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.68 170.15 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.561 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -126.31 151.79 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -155.1 142.73 19.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 110.974 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.0 105.67 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.219 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.06 176.17 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 21' ' ' VAL . . . . . 0.555 ' O ' ' OD1' ' X' ' 22' ' ' ASP . 3.1 m -94.99 8.91 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' X' ' 21' ' ' VAL . 34.6 m-20 -178.61 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.81 63.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.142 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.37 88.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -44.08 64.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.033 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.79 88.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.63 -28.81 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.729 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -60.39 -46.33 90.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 29' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' X' ' 30' ' ' PHE . 0.6 OUTLIER -66.09 -41.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.27 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 30' ' ' PHE . . . . . 0.473 ' N ' ' CG2' ' X' ' 29' ' ' VAL . 0.2 OUTLIER -65.05 -34.05 77.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.715 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 31' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' X' ' 35' ' ' ASN . 0.0 OUTLIER -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.0 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.119 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.86 -38.49 88.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.149 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 34' ' ' ALA . . . . . 0.472 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -71.14 -37.66 72.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 35' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' X' ' 31' ' ' LYS . 54.0 t30 -56.67 -36.81 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.803 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -26.28 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.813 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -87.37 -7.84 57.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.957 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.19 23.32 22.59 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.817 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 39' ' ' VAL . . . . . 0.472 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 53.5 t -80.53 108.68 14.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.066 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 40' ' ' ASP . . . . . 0.572 ' O ' ' OXT' ' X' ' 56' ' ' GLU . 0.3 OUTLIER -126.32 167.14 15.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.207 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 41' ' ' GLY . . . . . 0.59 ' HA3' HG12 ' X' ' 54' ' ' VAL . . . 143.37 -171.9 24.97 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 42' ' ' GLU . . . . . 0.546 ' H ' ' H ' ' X' ' 55' ' ' THR . 3.2 tt0 -96.57 115.68 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.784 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 43' ' ' TRP . . . . . 0.583 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -106.66 149.71 26.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.701 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -156.56 164.92 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.083 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 101.61 10.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -115.03 144.06 44.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.05 -25.21 4.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.38 -31.59 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -3.32 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 53.14 45.6 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -148.65 146.12 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.465 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 52' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' X' ' 4' ' ' LYS . 5.9 m-85 -107.89 154.41 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 53' ' ' THR . . . . . 0.499 ' O ' ' O ' ' X' ' 42' ' ' GLU . 4.6 m -143.49 143.04 31.4 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 112.186 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 54' ' ' VAL . . . . . 0.59 HG12 ' HA3' ' X' ' 41' ' ' GLY . 2.3 t -135.24 122.43 35.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.928 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 55' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' X' ' 56' ' ' GLU . 45.1 m -125.52 114.61 19.01 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.194 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 56' ' ' GLU . . . . . 0.636 ' CB ' ' O ' ' X' ' 55' ' ' THR . 7.5 tp10 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.995 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -124.98 132.09 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -128.95 167.94 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' X' ' 15' ' ' GLU . 4.1 tttm -127.27 140.13 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.206 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' X' ' 5' ' ' LEU . 0.2 OUTLIER -123.83 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.685 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 52.8 mt -107.61 106.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.806 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.554 ' O ' HD12 ' X' ' 7' ' ' LEU . 0.3 OUTLIER -113.58 114.08 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -98.39 114.82 27.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.159 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -87.86 47.74 3.6 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.58 -56.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 0.0 109.883 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.667 ' N ' ' O ' ' X' ' 9' ' ' GLY . 9.8 p -111.95 2.8 17.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.183 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.65 HD13 ' H ' ' X' ' 13' ' ' LYS . 0.1 OUTLIER -131.2 132.42 44.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 -179.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.65 ' H ' HD13 ' X' ' 12' ' ' LEU . 0.0 OUTLIER -131.97 139.48 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.108 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.92 141.79 7.74 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . 0.461 ' HB2' ' NZ ' ' X' ' 4' ' ' LYS . 1.3 pm0 -127.62 139.7 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.362 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 1.3 t -143.15 161.16 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 4.2 p -128.32 139.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -144.06 144.57 31.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.48 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 22.3 mp0 -108.24 110.11 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.611 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 174.16 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . 0.491 ' O ' HG12 ' X' ' 21' ' ' VAL . 17.0 t -117.11 1.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.33 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' X' ' 22' ' ' ASP . 1.2 p-10 -137.66 74.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.88 75.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.607 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.453 ' OG1' ' OD2' ' X' ' 22' ' ' ASP . 30.5 p -75.11 -45.3 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.96 97.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -58.53 -41.93 86.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -45.58 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.988 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 26.8 t -63.21 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.793 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -36.48 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.163 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -62.59 -50.82 69.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -65.81 -33.9 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -72.46 -44.33 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.595 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.648 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . 0.505 ' C ' HD22 ' X' ' 35' ' ' ASN . 0.2 OUTLIER -57.99 -42.27 84.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.168 179.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . 0.577 ' O ' ' OD1' ' X' ' 36' ' ' ASP . 38.6 t0 -66.42 -27.35 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.362 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.79 -1.26 57.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.247 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.49 23.28 21.98 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.648 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 48.8 t -99.03 108.97 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.533 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.39 167.35 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . 0.507 ' C ' ' OE1' ' X' ' 42' ' ' GLU . . . 147.99 -150.0 22.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . 0.578 ' H ' ' H ' ' X' ' 55' ' ' THR . 0.0 OUTLIER -111.42 116.39 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.62 ' CD1' HG13 ' X' ' 54' ' ' VAL . 0.0 OUTLIER -104.82 150.04 25.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.33 169.12 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -113.98 104.95 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.763 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.66 122.43 36.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.268 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -92.47 -32.29 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.02 -27.45 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.665 ' O ' ' N ' ' X' ' 51' ' ' THR . 48.6 p -119.25 7.19 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.991 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' X' ' 49' ' ' THR . 0.0 OUTLIER 30.76 31.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.521 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . 0.665 ' N ' ' O ' ' X' ' 49' ' ' THR . 1.2 t -118.63 147.46 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.409 ' HB2' HD22 ' X' ' 5' ' ' LEU . 7.1 m-85 -112.15 146.01 38.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -136.91 141.64 42.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' X' ' 43' ' ' TRP . 0.9 OUTLIER -135.45 124.81 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.081 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.578 ' H ' ' H ' ' X' ' 42' ' ' GLU . 67.1 m -124.1 115.46 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.062 0.458 . . . . 0.0 111.346 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.61 179.504 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.989 ' H3 ' ' HB3' ' X' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -126.61 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.26 169.04 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -126.75 141.45 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.21 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.09 104.83 7.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.536 ' C ' HD23 ' X' ' 7' ' ' LEU . 74.6 mt -109.79 110.93 33.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.799 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.899 HD23 ' N ' ' X' ' 7' ' ' LEU . 0.0 OUTLIER -92.69 106.32 18.32 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' X' ' 54' ' ' VAL . 29.4 t30 -87.35 114.06 23.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.453 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . 0.696 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -109.02 146.44 16.65 Favored Glycine 0 C--N 1.321 -0.3 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' X' ' 9' ' ' GLY . 12.2 tttt -32.35 -64.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.95 8.5 20.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.1 OUTLIER -132.59 128.24 36.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.842 -179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 142.76 32.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.744 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.75 173.56 35.09 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.452 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.16 146.49 48.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.698 0.285 . . . . 0.0 110.346 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.56 163.21 31.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.675 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.58 136.95 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 21.1 p -147.9 153.88 39.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.616 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . 0.66 ' CD ' ' H ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -103.95 137.94 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.989 ' HB3' ' H3 ' ' X' ' 1' ' ' MET . . . -95.36 162.75 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 0.0 111.7 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . 0.742 HG23 ' O ' ' X' ' 20' ' ' ALA . 1.4 t 153.54 -7.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.585 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.0 39.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.411 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -52.45 -25.2 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.149 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.67 89.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.201 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.442 ' O ' HG23 ' X' ' 29' ' ' VAL . 4.4 m -76.24 -44.96 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.833 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.23 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.221 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 10.7 tp10 -60.38 -33.96 73.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.171 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -63.1 -46.3 88.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . 0.467 ' H ' HG23 ' X' ' 29' ' ' VAL . 0.2 OUTLIER -68.82 -40.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.994 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.19 -34.62 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -58.78 -49.55 77.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.007 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -33.94 72.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.303 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -39.33 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.656 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.11 -45.79 69.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.036 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -64.65 -43.64 92.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.238 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -66.43 -28.11 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.65 0.04 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.511 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.36 9.97 58.65 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.695 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.656 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 13.9 t -88.39 108.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.101 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.55 160.13 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.42 . . . . 0.0 110.964 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' X' ' 55' ' ' THR . . . 150.75 -149.25 21.07 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . 0.626 ' H ' ' H ' ' X' ' 55' ' ' THR . 1.9 mm-40 -117.08 116.47 27.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.578 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -111.91 148.31 33.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.301 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -157.07 169.32 25.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.477 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.46 101.91 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.159 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . 0.518 ' OD1' ' OG1' ' X' ' 49' ' ' THR . 0.4 OUTLIER -104.67 117.07 33.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.731 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.98 -26.12 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -36.9 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.687 ' OG1' HG22 ' X' ' 51' ' ' THR . 63.4 p -116.64 -0.38 12.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.107 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mttp 47.08 47.99 15.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . 0.687 HG22 ' OG1' ' X' ' 49' ' ' THR . 10.6 t -148.07 151.56 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.435 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -105.4 137.13 43.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.391 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 24.5 m -130.29 138.58 50.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' X' ' 8' ' ' ASN . 4.6 t -127.96 124.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.388 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.626 ' H ' ' H ' ' X' ' 42' ' ' GLU . 21.8 m -124.78 116.96 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' X' ' 56' ' ' GLU . 5.0 pm0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.65 ' OE1' ' NZ ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -104.41 131.82 51.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.378 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.501 ' OH ' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -144.32 140.73 29.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.068 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.65 ' NZ ' ' OE1' ' X' ' 2' ' ' GLN . 8.5 mtmm -131.77 141.51 49.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -128.59 103.39 7.07 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.426 HG23 ' O ' ' X' ' 6' ' ' ILE . 3.2 tt -115.75 107.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.978 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.1 OUTLIER -104.88 105.91 16.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.133 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -113.8 112.64 23.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.95 -144.33 6.0 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.663 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.429 ' HB3' ' H ' ' X' ' 11' ' ' THR . 10.7 tptt -55.15 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.643 0.259 . . . . 0.0 110.778 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.429 ' H ' ' HB3' ' X' ' 10' ' ' LYS . 2.3 p -111.7 8.27 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.886 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -112.46 114.08 26.59 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -144.46 138.95 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.246 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.9 172.31 42.6 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -135.31 139.31 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -146.05 169.23 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.88 143.94 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.7 139.15 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.384 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' X' ' 19' ' ' GLU . 14.7 mp0 -111.84 105.44 13.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.6 157.17 40.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.47 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.13 6.84 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.395 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.07 58.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.533 ' O ' ' CD ' ' X' ' 27' ' ' GLU . . . -72.14 -28.55 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.35 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.445 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.49 ' O ' HG12 ' X' ' 29' ' ' VAL . 3.0 p -75.41 -43.72 48.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.596 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' CG1' ' X' ' 29' ' ' VAL . . . -62.68 -40.2 96.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.018 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.533 ' CD ' ' O ' ' X' ' 23' ' ' ALA . 40.6 mt-10 -57.44 -43.4 83.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -68.23 -46.38 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.722 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . 0.49 HG12 ' O ' ' X' ' 25' ' ' THR . 2.8 p -68.14 -44.49 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' X' ' 34' ' ' ALA . 0.2 OUTLIER -62.78 -36.61 83.68 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.025 -179.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' X' ' 35' ' ' ASN . 1.8 mttt -58.08 -45.83 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.68 -49.6 25.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.21 -44.63 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.849 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' X' ' 30' ' ' PHE . . . -64.73 -41.52 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . 0.541 ' CG ' ' O ' ' X' ' 31' ' ' LYS . 8.6 m120 -62.91 -39.52 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.4 -26.87 68.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.431 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -85.95 -6.22 59.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.842 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.57 20.73 28.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.511 ' O ' ' ND2' ' X' ' 35' ' ' ASN . 53.7 t -86.4 108.51 17.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.339 -0.545 . . . . 0.0 109.769 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 167.4 16.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 0.0 111.158 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' X' ' 55' ' ' THR . . . 144.08 -157.85 27.25 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . 0.55 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.7 tt0 -109.69 116.38 31.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -104.42 149.63 25.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -178.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . 0.437 ' O ' ' CE2' ' X' ' 52' ' ' PHE . 0.3 OUTLIER -151.29 169.4 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.36 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 101.57 10.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.656 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.7 141.27 29.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.406 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.47 -31.09 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.64 65.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.456 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -2.64 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.32 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mttp 53.01 57.12 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 2.9 t -143.9 150.27 38.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' OH ' ' X' ' 3' ' ' TYR . 0.2 OUTLIER -107.12 134.51 50.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.159 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.57 137.09 55.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 111.389 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' X' ' 42' ' ' GLU . 93.6 t -135.08 123.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.845 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.55 ' H ' ' H ' ' X' ' 42' ' ' GLU . 58.0 m -124.94 114.66 19.45 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.466 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' X' ' 55' ' ' THR . 2.3 tp10 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.68 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.57 ' CG ' ' H ' ' X' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.57 ' H ' ' CG ' ' X' ' 1' ' ' MET . 1.9 mt-30 -126.78 123.01 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -135.88 148.38 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.552 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -133.9 142.97 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.229 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.98 105.21 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.169 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -102.04 106.83 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.915 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.538 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.2 OUTLIER -113.44 124.7 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.613 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.661 HD22 ' H ' ' X' ' 10' ' ' LYS . 1.7 t30 -103.83 114.28 28.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -83.66 45.64 3.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.661 ' H ' HD22 ' X' ' 8' ' ' ASN . 5.7 ttpm? 62.46 -55.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.269 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.623 ' N ' ' O ' ' X' ' 9' ' ' GLY . 7.9 t -112.24 5.76 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' X' ' 12' ' ' LEU . 16.0 tp -138.39 146.39 42.18 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -135.06 148.04 49.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.671 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.98 160.43 28.14 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.796 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' X' ' 16' ' ' THR . 0.5 OUTLIER -138.72 138.55 37.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . 0.544 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 2.8 t -144.17 166.34 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 111.023 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . 0.429 ' O ' HG23 ' X' ' 18' ' ' THR . 0.7 OUTLIER -138.92 132.08 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.388 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . 0.429 HG23 ' O ' ' X' ' 17' ' ' THR . 23.7 p -154.61 146.07 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.614 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -110.83 113.74 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.32 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' X' ' 1' ' ' MET . . . -141.39 167.55 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.811 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . 0.697 HG22 ' O ' ' X' ' 21' ' ' VAL . 14.5 p -129.11 14.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.395 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' X' ' 26' ' ' ALA . 0.5 OUTLIER -116.31 78.01 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.72 -45.59 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.796 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.07 94.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.882 ' O ' HG23 ' X' ' 29' ' ' VAL . 0.2 OUTLIER -76.11 -42.46 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.198 -179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' X' ' 22' ' ' ASP . . . -66.12 -42.45 89.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.839 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.543 ' CD ' ' N ' ' X' ' 28' ' ' LYS . 1.9 pp20? -57.28 -45.12 84.4 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.227 -178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' X' ' 27' ' ' GLU . 11.8 tttt -69.3 -41.12 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.442 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . 0.882 HG23 ' O ' ' X' ' 25' ' ' THR . 40.6 t -68.63 -39.33 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.531 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -35.21 75.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.598 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -31.22 71.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.434 . . . . 0.0 109.969 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.07 -49.36 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.39 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 0.0 OUTLIER -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.294 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.885 ' HB1' HG23 ' X' ' 39' ' ' VAL . . . -61.71 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.24 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -45.78 86.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.145 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.4 -28.41 68.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -9.35 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.709 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.41 17.77 63.68 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.193 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.885 HG23 ' HB1' ' X' ' 34' ' ' ALA . 5.1 m -99.44 109.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.037 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -126.05 167.94 14.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.218 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . 0.446 ' HA3' HG12 ' X' ' 54' ' ' VAL . . . 157.73 -153.82 24.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . 0.597 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.9 mt-10 -96.26 116.04 28.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.8 149.54 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.348 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.5 138.71 20.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.621 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 102.53 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.056 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.65 119.88 38.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.193 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -23.59 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.692 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.65 -33.02 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.459 ' O ' ' C ' ' X' ' 50' ' ' LYS . 2.1 p -119.68 9.46 11.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' X' ' 49' ' ' THR . 9.8 mttt 34.48 56.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 38.3 m -137.94 135.39 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 111.046 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.88 148.23 29.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.056 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -143.51 135.8 27.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.066 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.446 HG12 ' HA3' ' X' ' 41' ' ' GLY . 6.6 t -135.92 123.76 35.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.453 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.597 ' H ' ' H ' ' X' ' 42' ' ' GLU . 3.2 m -125.0 115.6 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.689 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.572 ' C ' ' O ' ' X' ' 55' ' ' THR . 1.9 pp20? . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.932 -1.032 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttm . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.76 129.21 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.115 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -138.14 141.19 40.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.295 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.644 ' O ' ' N ' ' X' ' 52' ' ' PHE . 0.4 OUTLIER -121.97 134.02 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.213 179.09 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.543 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -131.39 105.75 7.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.811 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.433 ' H ' HG12 ' X' ' 6' ' ' ILE . 1.5 pt -109.16 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.69 HD23 ' N ' ' X' ' 7' ' ' LEU . 0.2 OUTLIER -114.32 130.66 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.364 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' X' ' 10' ' ' LYS . 0.5 OUTLIER -109.77 114.17 27.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.97 178.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' X' ' 10' ' ' LYS . . . -78.07 32.83 1.74 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' X' ' 9' ' ' GLY . 1.8 tttp 91.5 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.935 0.398 . . . . 0.0 110.45 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.565 ' O ' HD23 ' X' ' 12' ' ' LEU . 3.2 m -111.86 -6.52 14.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.82 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.565 HD23 ' O ' ' X' ' 11' ' ' THR . 22.2 mt -124.97 125.64 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.74 149.29 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.412 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.45 -179.54 30.65 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -130.02 139.22 51.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.599 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.5 147.97 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . 0.423 ' O ' HG23 ' X' ' 17' ' ' THR . 14.7 t -132.76 132.85 42.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.652 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -144.45 134.78 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . 0.641 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -118.42 105.91 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.4 175.11 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.38 42.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.047 0.451 . . . . 0.0 110.315 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' X' ' 23' ' ' ALA . 0.2 OUTLIER 177.47 13.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.848 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -52.85 -22.32 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.87 79.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.634 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.422 ' H ' ' HG1' ' X' ' 25' ' ' THR . 16.5 p -74.66 -47.03 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.095 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.73 -41.31 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.851 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.598 ' O ' ' NZ ' ' X' ' 31' ' ' LYS . 3.8 mm-40 -57.88 -37.96 74.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -60.45 -35.85 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.36 -41.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.38 -29.45 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.598 ' NZ ' ' O ' ' X' ' 27' ' ' GLU . 27.5 mmtm -73.04 -35.87 66.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -63.29 -42.99 99.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.86 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.0 -37.46 78.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.41 -38.02 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.477 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.94 -46.99 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.89 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -25.43 67.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.954 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -85.91 -6.72 59.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.037 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.22 22.92 23.65 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.609 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 66.1 t -87.82 108.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.447 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -127.0 167.51 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.02 -179.61 32.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . 0.469 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 4.1 pt-20 -88.05 116.87 26.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.441 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.541 ' CD2' HG11 ' X' ' 54' ' ' VAL . 87.2 m95 -102.2 148.15 25.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.6 t -156.2 169.51 24.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.752 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.485 ' HA ' ' CZ ' ' X' ' 52' ' ' PHE . 15.7 m-85 -113.36 102.34 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.41 146.65 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -129.03 -36.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.45 -36.66 61.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.407 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER -119.56 6.36 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.345 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' X' ' 49' ' ' THR . 11.0 mtmm 39.08 59.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.418 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -148.29 136.82 21.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.785 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.644 ' N ' ' O ' ' X' ' 4' ' ' LYS . 3.7 m-30 -106.25 141.63 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.57 141.6 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.178 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.541 HG11 ' CD2' ' X' ' 43' ' ' TRP . 1.4 m -147.5 123.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.623 ' O ' ' C ' ' X' ' 56' ' ' GLU . 0.2 OUTLIER -125.56 116.77 22.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.565 179.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' X' ' 55' ' ' THR . 42.6 tp10 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.014 -0.994 . . . . 0.0 111.346 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 33.6 mtt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.439 HE21 ' C ' ' X' ' 3' ' ' TYR . 3.5 tm0? -96.14 140.91 30.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.512 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.439 ' C ' HE21 ' X' ' 2' ' ' GLN . 25.9 p90 -144.11 167.87 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.51 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -127.04 139.51 52.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.861 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.53 105.1 14.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.99 110.61 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' X' ' 54' ' ' VAL . 0.5 OUTLIER -107.54 105.38 15.25 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.361 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' X' ' 8' ' ' ASN . 0.6 OUTLIER -117.73 112.23 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.22 -154.44 6.51 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.633 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.439 ' HZ3' ' HB2' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -53.16 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 110.236 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.514 ' C ' HD12 ' X' ' 12' ' ' LEU . 6.5 m -111.71 6.8 20.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.702 ' N ' HD12 ' X' ' 12' ' ' LEU . 7.5 mp -103.61 121.81 43.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -142.72 139.2 31.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.34 152.8 21.27 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -140.94 138.49 33.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.504 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -142.9 166.31 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.444 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 132.83 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.771 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -150.46 138.24 19.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -112.34 119.54 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.638 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.13 169.93 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 35.5 m -107.58 19.51 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -159.79 59.17 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' X' ' 27' ' ' GLU . . . -73.22 -25.05 60.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 3.8 m -74.56 -45.81 43.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' X' ' 23' ' ' ALA . 18.3 mm-40 -57.68 -39.63 77.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -63.7 -46.68 84.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -68.77 -41.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.582 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.52 -29.34 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.004 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.75 -51.3 67.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.045 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -63.97 -34.48 78.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.974 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.4 -34.81 68.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.092 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -71.33 -42.51 68.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -27.39 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.049 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.86 -33.7 74.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.044 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' X' ' 37' ' ' ASN . 10.2 t-20 -89.5 -1.85 58.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.749 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . 0.489 ' O ' ' OD1' ' X' ' 40' ' ' ASP . . . 94.77 23.63 20.22 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.53 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.542 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 24.0 t -86.92 108.54 18.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.303 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . 0.587 ' OD2' ' OE1' ' X' ' 56' ' ' GLU . 0.0 OUTLIER -126.17 168.43 14.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.15 -173.28 25.65 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . 0.478 ' H ' ' H ' ' X' ' 55' ' ' THR . 27.8 tt0 -96.16 121.65 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.767 ' CE2' HG11 ' X' ' 54' ' ' VAL . 15.0 m95 -103.14 148.1 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 0.0 110.991 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.05 137.84 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.898 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.768 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -90.64 101.73 14.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.146 179.677 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -103.2 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.04 -24.07 20.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.38 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.434 ' O ' ' C ' ' X' ' 50' ' ' LYS . 72.0 p -118.84 6.52 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.203 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.7 mttm 36.18 49.64 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.419 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -141.38 142.02 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -107.02 139.84 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.022 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.435 ' O ' ' O ' ' X' ' 42' ' ' GLU . 0.6 OUTLIER -133.35 131.22 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.767 HG11 ' CE2' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -128.77 123.55 59.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.444 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.478 ' H ' ' H ' ' X' ' 42' ' ' GLU . 24.2 p -125.48 115.54 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.389 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.587 ' OE1' ' OD2' ' X' ' 40' ' ' ASP . 2.4 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.348 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.764 HE21 ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -122.22 129.22 52.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.496 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.764 ' N ' HE21 ' X' ' 2' ' ' GLN . 96.7 m-85 -133.39 165.86 23.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.317 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.524 ' C ' HD23 ' X' ' 5' ' ' LEU . 28.1 mttp -133.67 131.82 39.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.56 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -114.4 103.72 11.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.043 179.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' X' ' 53' ' ' THR . 8.1 mt -102.05 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.429 ' CB ' ' HB ' ' X' ' 54' ' ' VAL . 0.2 OUTLIER -98.43 107.06 19.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.797 -179.249 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.631 HD21 ' CD ' ' X' ' 13' ' ' LYS . 0.3 OUTLIER -92.35 112.99 25.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -98.66 161.67 20.4 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' X' ' 9' ' ' GLY . 1.2 tttt -39.02 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' X' ' 10' ' ' LYS . 8.6 t -112.18 7.82 19.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.607 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.8 OUTLIER -132.27 139.25 48.18 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.464 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.631 ' CD ' HD21 ' X' ' 8' ' ' ASN . 5.5 mtmp? -136.38 156.37 48.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.809 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.41 138.52 5.49 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.387 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . 0.551 ' OE2' ' O ' ' X' ' 15' ' ' GLU . 0.7 OUTLIER -133.46 138.7 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.135 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.25 175.73 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.68 134.78 48.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.212 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.45 148.11 29.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.73 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.92 110.59 20.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.24 157.45 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . 0.545 HG22 ' O ' ' X' ' 21' ' ' VAL . 9.9 p -108.69 22.8 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.448 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.86 41.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -53.96 -23.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.634 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.52 88.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.32 -46.44 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.33 84.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 16.1 tp10 -60.28 -39.87 88.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -39.64 89.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 109.966 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 19.8 t -67.26 -41.51 86.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.81 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' X' ' 34' ' ' ALA . 1.4 m-85 -63.35 -26.36 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -56.77 -30.87 64.05 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -69.78 -45.01 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -35.6 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.815 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.695 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -63.03 -46.28 88.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -56.79 -46.05 81.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.949 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.31 -24.19 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.7 -5.59 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 19.75 31.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.695 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 56.2 t -105.16 108.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.533 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' X' ' 41' ' ' GLY . 45.6 t0 -127.19 163.44 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.204 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' X' ' 40' ' ' ASP . . . 147.94 -157.1 27.22 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . 0.477 ' H ' ' H ' ' X' ' 55' ' ' THR . 9.4 mt-10 -118.8 122.49 42.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.771 0.32 . . . . 0.0 110.153 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.549 ' N ' ' CD1' ' X' ' 43' ' ' TRP . 8.9 m95 -102.73 149.25 24.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.43 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.59 162.35 39.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -120.21 105.7 11.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' X' ' 51' ' ' THR . 0.4 OUTLIER -96.28 165.94 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.649 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -12.71 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.44 39.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.591 ' O ' ' N ' ' X' ' 51' ' ' THR . 26.3 p -119.25 12.81 12.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.2 mttm 29.56 36.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.538 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . 0.591 ' N ' ' O ' ' X' ' 49' ' ' THR . 6.6 t -130.11 150.8 51.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 1.2 m-85 -107.55 142.54 37.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.232 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' X' ' 6' ' ' ILE . 75.9 p -128.29 152.12 48.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.431 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' X' ' 43' ' ' TRP . 19.7 t -135.35 124.36 40.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.659 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.55 ' O ' ' C ' ' X' ' 56' ' ' GLU . 8.8 m -124.76 114.63 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.661 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' X' ' 55' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.944 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -126.24 130.23 50.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.395 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' HB2' ' X' ' 20' ' ' ALA . 0.1 OUTLIER -144.04 162.04 37.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.406 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -130.51 144.09 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.387 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.35 105.27 11.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.403 ' N ' HD13 ' X' ' 6' ' ' ILE . 3.1 mm -101.81 121.92 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.62 107.46 16.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.96 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' X' ' 55' ' ' THR . 0.8 OUTLIER -101.95 114.49 28.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.223 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.57 40.89 2.89 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt 71.5 -58.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.58 ' C ' HD12 ' X' ' 12' ' ' LEU . 43.1 p -112.42 1.94 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.754 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.58 HD12 ' C ' ' X' ' 11' ' ' THR . 7.6 mp -125.34 151.1 46.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.38 . . . . 0.0 111.028 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' X' ' 13' ' ' LYS . 9.1 mtmp? -141.3 154.32 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.228 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.42 166.01 31.56 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -140.67 139.57 34.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.85 176.62 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.94 137.81 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -155.16 154.33 32.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . 0.646 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 34.4 mp0 -103.98 138.97 39.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.992 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' X' ' 3' ' ' TYR . . . -94.54 147.72 22.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.342 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -178.5 -10.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.757 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.02 42.04 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.94 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.97 20.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.314 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.59 87.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.785 0.326 . . . . 0.0 110.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 39.8 p -75.9 -45.89 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.429 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -57.37 -25.39 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.152 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -63.25 -47.73 81.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.1 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . 0.465 HG13 ' H ' ' X' ' 29' ' ' VAL . 0.9 OUTLIER -70.0 -41.69 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.406 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.447 ' N ' ' CG2' ' X' ' 29' ' ' VAL . 0.1 OUTLIER -64.69 -35.11 79.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.136 -179.399 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.956 0.408 . . . . 0.0 109.901 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.29 98.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.621 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -44.81 95.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.749 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -62.98 -42.86 99.96 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -43.68 96.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.649 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -29.43 64.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.753 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -89.75 -6.78 55.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.92 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.15 16.09 58.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.557 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 71.9 t -88.09 107.57 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.295 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.47 167.74 15.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.626 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . 0.654 ' O ' ' CE2' ' X' ' 43' ' ' TRP . . . 154.03 -170.79 32.65 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.96 116.45 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.654 ' CE2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.65 148.32 26.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.502 . . . . 0.0 111.323 -178.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.12 165.74 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.922 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -106.21 106.87 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.95 131.61 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -46.55 4.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 -28.63 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.673 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.522 ' O ' ' C ' ' X' ' 50' ' ' LYS . 12.4 p -117.48 8.48 12.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.4 mtmt 28.49 50.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 21.5 m -135.92 145.4 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -117.66 132.8 56.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' X' ' 6' ' ' ILE . 6.0 t -139.39 157.66 45.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.915 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.541 ' CG1' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -147.3 124.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.948 179.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.551 ' O ' ' C ' ' X' ' 56' ' ' GLU . 2.7 m -122.9 115.56 22.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.551 ' C ' ' O ' ' X' ' 55' ' ' THR . 6.9 tt0 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.494 ' C ' ' CD1' ' X' ' 3' ' ' TYR . 8.2 tt0 -125.96 132.16 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' X' ' 23' ' ' ALA . 0.2 OUTLIER -143.02 167.87 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 111.024 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.871 ' C ' HD23 ' X' ' 5' ' ' LEU . 21.9 mtpp -137.95 143.14 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.91 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.895 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -118.32 108.68 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.897 -179.457 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' X' ' 53' ' ' THR . 37.2 mt -101.36 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.868 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.7 ' O ' HD12 ' X' ' 7' ' ' LEU . 2.3 pp -110.6 121.37 45.14 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.068 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -105.23 114.46 28.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . 0.676 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -85.89 48.52 3.98 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 -56.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 109.812 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . 0.676 ' N ' ' O ' ' X' ' 9' ' ' GLY . 0.0 OUTLIER -112.26 3.38 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.563 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.3 OUTLIER -131.86 143.17 49.97 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -131.57 146.02 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.289 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.65 143.32 8.24 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -131.77 152.41 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.03 170.26 16.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -143.31 134.97 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 11.2 m -148.03 146.08 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -113.98 108.87 17.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 162.99 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.651 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.63 40.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' X' ' 22' ' ' ASP . 12.7 p-10 -174.31 53.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.164 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . 0.504 ' HB2' ' CE2' ' X' ' 3' ' ' TYR . . . -67.08 -29.32 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.56 89.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . 0.549 ' O ' HG23 ' X' ' 29' ' ' VAL . 5.9 m -75.41 -44.61 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.47 90.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.89 -46.88 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.93 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -64.48 -42.22 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . 0.549 HG23 ' O ' ' X' ' 25' ' ' THR . 60.3 t -66.96 -41.98 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.988 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.42 -38.17 89.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.002 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.44 ' NZ ' HG11 ' X' ' 54' ' ' VAL . 1.9 mmpt? -61.34 -39.49 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.55 -44.57 89.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.46 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.8 -42.33 73.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -61.86 -42.63 99.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.592 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.777 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.7 -3.68 58.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.781 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.42 18.79 34.64 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.535 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.46 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 85.2 t -89.57 108.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.195 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . 0.557 ' CG ' ' N ' ' X' ' 41' ' ' GLY . 0.5 OUTLIER -126.62 167.5 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.691 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . 0.662 ' O ' ' CZ2' ' X' ' 43' ' ' TRP . . . 157.73 -162.89 32.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 0.7 OUTLIER -102.75 115.85 31.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.095 179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.662 ' CZ2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.87 149.59 25.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . 0.423 HG22 ' H ' ' X' ' 45' ' ' TYR . 1.2 m -155.45 166.83 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.635 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . 0.423 ' H ' HG22 ' X' ' 44' ' ' THR . 3.4 m-85 -97.29 102.61 14.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.635 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' X' ' 46' ' ' ASP . 0.9 OUTLIER -105.39 125.53 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.362 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -111.17 -29.46 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.762 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.06 -20.27 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . 0.608 ' O ' ' N ' ' X' ' 51' ' ' THR . 67.6 p -104.8 6.48 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.754 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 40.06 18.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . 0.608 ' N ' ' O ' ' X' ' 49' ' ' THR . 9.2 t -148.33 144.94 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.741 ' CD1' ' N ' ' X' ' 53' ' ' THR . 0.0 OUTLIER -109.55 161.25 15.53 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.741 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 9.3 t -144.59 153.42 41.77 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.877 -0.729 . . . . 0.0 112.335 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.44 HG11 ' NZ ' ' X' ' 31' ' ' LYS . 2.2 p -142.08 123.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.253 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.546 ' O ' ' C ' ' X' ' 56' ' ' GLU . 10.3 m -124.65 115.47 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.077 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' X' ' 55' ' ' THR . 11.5 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 1' ' ' MET . . . . . 0.559 ' CG ' ' N ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 2' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' X' ' 1' ' ' MET . 9.8 mt-30 -102.15 136.24 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.405 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 3' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' X' ' 1' ' ' MET . 62.5 m-85 -130.99 165.78 22.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.555 ' C ' HD23 ' X' ' 5' ' ' LEU . 4.8 mttm -128.75 138.63 52.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.779 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.585 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -122.77 119.68 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.593 -179.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.5 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.87 123.55 48.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.257 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.59 114.49 28.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.767 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 9' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -81.6 28.4 3.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' LYS . . . . . 0.461 ' CG ' ' C ' ' X' ' 9' ' ' GLY . 3.7 mtmm 76.15 -58.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 109.977 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -111.67 -3.57 14.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' X' ' 9' ' ' GLY . 4.9 mt -138.63 151.1 46.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.504 ' HB3' ' HZ3' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -132.64 151.23 52.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.77 158.74 29.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -137.04 144.38 43.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.533 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.68 170.15 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.561 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -126.31 151.79 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -155.1 142.73 19.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 110.974 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.0 105.67 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.219 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.06 176.17 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' VAL . . . . . 0.555 ' O ' ' OD1' ' X' ' 22' ' ' ASP . 3.1 m -94.99 8.91 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' X' ' 21' ' ' VAL . 34.6 m-20 -178.61 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.81 63.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.142 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.37 88.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -44.08 64.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.033 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.79 88.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.63 -28.81 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.729 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -60.39 -46.33 90.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 29' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' X' ' 30' ' ' PHE . 0.6 OUTLIER -66.09 -41.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.27 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 30' ' ' PHE . . . . . 0.473 ' N ' ' CG2' ' X' ' 29' ' ' VAL . 0.2 OUTLIER -65.05 -34.05 77.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.715 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 31' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' X' ' 35' ' ' ASN . 0.0 OUTLIER -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.0 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.119 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.86 -38.49 88.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.149 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 34' ' ' ALA . . . . . 0.472 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -71.14 -37.66 72.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 35' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' X' ' 31' ' ' LYS . 6.0 t-20 -56.67 -36.81 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.803 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -26.28 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.813 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -87.37 -7.84 57.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.957 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.19 23.32 22.59 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.817 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 39' ' ' VAL . . . . . 0.472 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 53.5 t -80.53 108.68 14.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.066 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 40' ' ' ASP . . . . . 0.572 ' O ' ' OXT' ' X' ' 56' ' ' GLU . 0.3 OUTLIER -126.32 167.14 15.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.207 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 41' ' ' GLY . . . . . 0.59 ' HA3' HG12 ' X' ' 54' ' ' VAL . . . 143.37 -171.9 24.97 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 42' ' ' GLU . . . . . 0.546 ' H ' ' H ' ' X' ' 55' ' ' THR . 3.2 tt0 -96.57 115.68 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.784 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 43' ' ' TRP . . . . . 0.583 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -106.66 149.71 26.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.701 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -156.56 164.92 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.083 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 101.61 10.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -115.03 144.06 44.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.05 -25.21 4.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.38 -31.59 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -3.32 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 53.14 45.6 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -148.65 146.12 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.465 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 52' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' X' ' 4' ' ' LYS . 5.9 m-85 -107.89 154.41 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 53' ' ' THR . . . . . 0.499 ' O ' ' O ' ' X' ' 42' ' ' GLU . 4.6 m -143.49 143.04 31.4 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 112.186 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 54' ' ' VAL . . . . . 0.59 HG12 ' HA3' ' X' ' 41' ' ' GLY . 2.3 t -135.24 122.43 35.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.928 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 55' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' X' ' 56' ' ' GLU . 45.1 m -125.52 114.61 19.01 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.194 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 56' ' ' GLU . . . . . 0.636 ' CB ' ' O ' ' X' ' 55' ' ' THR . 7.5 tp10 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.995 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -124.98 132.09 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -128.95 167.94 16.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.44 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' X' ' 15' ' ' GLU . 4.1 tttm -127.27 140.13 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.206 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' X' ' 5' ' ' LEU . 0.2 OUTLIER -123.83 105.14 9.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.685 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 52.8 mt -107.61 106.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.806 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.554 ' O ' HD12 ' X' ' 7' ' ' LEU . 0.3 OUTLIER -113.58 114.08 25.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.688 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -98.39 114.82 27.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.159 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . 0.667 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -87.86 47.74 3.6 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.58 -56.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.046 0.45 . . . . 0.0 109.883 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.667 ' N ' ' O ' ' X' ' 9' ' ' GLY . 9.8 p -111.95 2.8 17.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.183 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.65 HD13 ' H ' ' X' ' 13' ' ' LYS . 0.1 OUTLIER -131.2 132.42 44.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.061 -179.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.65 ' H ' HD13 ' X' ' 12' ' ' LEU . 0.0 OUTLIER -131.97 139.48 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.108 179.537 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.92 141.79 7.74 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . 0.461 ' HB2' ' NZ ' ' X' ' 4' ' ' LYS . 1.3 pm0 -127.62 139.7 52.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.362 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 1.3 t -143.15 161.16 38.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 4.2 p -128.32 139.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.807 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -144.06 144.57 31.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.48 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . 0.513 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 22.3 mp0 -108.24 110.11 21.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.611 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.17 174.16 10.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . 0.491 ' O ' HG12 ' X' ' 21' ' ' VAL . 17.0 t -117.11 1.19 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.33 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' X' ' 22' ' ' ASP . 1.2 p-10 -137.66 74.98 1.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -33.88 75.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.612 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.607 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.453 ' OG1' ' OD2' ' X' ' 22' ' ' ASP . 30.5 p -75.11 -45.3 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.71 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.96 97.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -58.53 -41.93 86.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.8 -45.58 70.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.988 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 26.8 t -63.21 -41.69 93.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.793 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -36.48 82.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.163 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -62.59 -50.82 69.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.639 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -65.81 -33.9 76.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.495 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -72.46 -44.33 62.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.595 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.648 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -63.11 -45.59 91.3 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . 0.505 ' C ' HD22 ' X' ' 35' ' ' ASN . 0.2 OUTLIER -57.99 -42.27 84.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.168 179.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . 0.577 ' O ' ' OD1' ' X' ' 36' ' ' ASP . 38.6 t0 -66.42 -27.35 67.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.362 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.79 -1.26 57.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.247 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.49 23.28 21.98 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.648 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 48.8 t -99.03 108.97 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.533 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -126.39 167.35 15.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . 0.507 ' C ' ' OE1' ' X' ' 42' ' ' GLU . . . 147.99 -150.0 22.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . 0.578 ' H ' ' H ' ' X' ' 55' ' ' THR . 0.0 OUTLIER -111.42 116.39 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.611 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.62 ' CD1' HG13 ' X' ' 54' ' ' VAL . 0.0 OUTLIER -104.82 150.04 25.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.721 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.33 169.12 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.116 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -113.98 104.95 12.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.763 -179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.66 122.43 36.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.268 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -92.47 -32.29 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.926 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.02 -27.45 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.665 ' O ' ' N ' ' X' ' 51' ' ' THR . 48.6 p -119.25 7.19 11.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.991 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.52 ' C ' ' O ' ' X' ' 49' ' ' THR . 0.0 OUTLIER 30.76 31.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.521 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . 0.665 ' N ' ' O ' ' X' ' 49' ' ' THR . 1.2 t -118.63 147.46 43.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.801 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.409 ' HB2' HD22 ' X' ' 5' ' ' LEU . 7.1 m-85 -112.15 146.01 38.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.334 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 1.8 p -136.91 141.64 42.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 0.0 111.086 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' X' ' 43' ' ' TRP . 0.9 OUTLIER -135.45 124.81 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.081 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.578 ' H ' ' H ' ' X' ' 42' ' ' GLU . 67.1 m -124.1 115.46 21.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.062 0.458 . . . . 0.0 111.346 -179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.61 179.504 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.989 ' H3 ' ' HB3' ' X' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.426 ' H ' ' CG ' ' X' ' 1' ' ' MET . 0.0 OUTLIER -126.61 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -144.26 169.04 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -126.75 141.45 51.83 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.21 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mt -130.09 104.83 7.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.138 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.536 ' C ' HD23 ' X' ' 7' ' ' LEU . 74.6 mt -109.79 110.93 33.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.799 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.899 HD23 ' N ' ' X' ' 7' ' ' LEU . 0.0 OUTLIER -92.69 106.32 18.32 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' X' ' 54' ' ' VAL . 29.4 t30 -87.35 114.06 23.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.453 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . 0.696 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -109.02 146.44 16.65 Favored Glycine 0 C--N 1.321 -0.3 0 N-CA-C 110.181 -1.168 . . . . 0.0 110.181 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.536 ' C ' ' O ' ' X' ' 9' ' ' GLY . 12.2 tttt -32.35 -64.84 0.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.95 8.5 20.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.671 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.1 OUTLIER -132.59 128.24 36.74 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.842 -179.239 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 142.76 32.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.744 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.75 173.56 35.09 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.452 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.16 146.49 48.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.698 0.285 . . . . 0.0 110.346 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.56 163.21 31.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.398 . . . . 0.0 110.675 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.58 136.95 54.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.252 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 21.1 p -147.9 153.88 39.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.616 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . 0.66 ' CD ' ' H ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -103.95 137.94 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.989 ' HB3' ' H3 ' ' X' ' 1' ' ' MET . . . -95.36 162.75 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 0.0 111.7 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . 0.742 HG23 ' O ' ' X' ' 20' ' ' ALA . 1.4 t 153.54 -7.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.585 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.0 39.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.411 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -52.45 -25.2 9.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.149 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.97 -45.67 89.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.904 0.383 . . . . 0.0 110.201 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.442 ' O ' HG23 ' X' ' 29' ' ' VAL . 4.4 m -76.24 -44.96 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.833 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -42.23 83.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.221 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 10.7 tp10 -60.38 -33.96 73.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.171 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -63.1 -46.3 88.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.923 0.392 . . . . 0.0 110.453 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . 0.467 ' H ' HG23 ' X' ' 29' ' ' VAL . 0.2 OUTLIER -68.82 -40.03 80.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.994 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.19 -34.62 75.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -58.78 -49.55 77.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 110.007 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -33.94 72.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.303 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -39.33 73.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.656 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.11 -45.79 69.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.854 0.359 . . . . 0.0 110.036 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -64.65 -43.64 92.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.238 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -66.43 -28.11 68.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -85.65 0.04 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.511 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.36 9.97 58.65 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.695 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.656 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 13.9 t -88.39 108.63 18.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.101 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -126.55 160.13 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.983 0.42 . . . . 0.0 110.964 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' X' ' 55' ' ' THR . . . 150.75 -149.25 21.07 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . 0.626 ' H ' ' H ' ' X' ' 55' ' ' THR . 1.9 mm-40 -117.08 116.47 27.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.826 0.346 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.578 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -111.91 148.31 33.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.301 179.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -157.07 169.32 25.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.477 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -91.46 101.91 14.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.159 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . 0.518 ' OD1' ' OG1' ' X' ' 49' ' ' THR . 0.4 OUTLIER -104.67 117.07 33.19 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.731 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.98 -26.12 13.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.54 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.91 -36.9 68.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.687 ' OG1' HG22 ' X' ' 51' ' ' THR . 63.4 p -116.64 -0.38 12.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.107 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 mttp 47.08 47.99 15.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.509 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . 0.687 HG22 ' OG1' ' X' ' 49' ' ' THR . 10.6 t -148.07 151.56 35.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.435 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -105.4 137.13 43.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.391 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 24.5 m -130.29 138.58 50.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.599 ' O ' ' N ' ' X' ' 8' ' ' ASN . 4.6 t -127.96 124.44 62.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.388 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.626 ' H ' ' H ' ' X' ' 42' ' ' GLU . 21.8 m -124.78 116.96 23.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' X' ' 56' ' ' GLU . 5.0 pm0 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.65 ' OE1' ' NZ ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -104.41 131.82 51.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.378 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.501 ' OH ' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -144.32 140.73 29.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.068 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.65 ' NZ ' ' OE1' ' X' ' 2' ' ' GLN . 8.5 mtmm -131.77 141.51 49.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -128.59 103.39 7.07 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.426 HG23 ' O ' ' X' ' 6' ' ' ILE . 3.2 tt -115.75 107.89 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.793 179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.978 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.1 OUTLIER -104.88 105.91 16.18 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.133 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -113.8 112.64 23.74 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.95 -144.33 6.0 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.663 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.429 ' HB3' ' H ' ' X' ' 11' ' ' THR . 10.7 tptt -55.15 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.643 0.259 . . . . 0.0 110.778 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.429 ' H ' ' HB3' ' X' ' 10' ' ' LYS . 2.3 p -111.7 8.27 20.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.886 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 24.0 tp -112.46 114.08 26.59 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -144.46 138.95 28.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.246 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.9 172.31 42.6 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -135.31 139.31 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 7.0 p -146.05 169.23 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.622 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.88 143.94 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.727 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.7 139.15 18.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.384 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . 0.639 ' N ' ' CD ' ' X' ' 19' ' ' GLU . 14.7 mp0 -111.84 105.44 13.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.626 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.6 157.17 40.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.47 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.13 6.84 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.395 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.07 58.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.533 ' O ' ' CD ' ' X' ' 27' ' ' GLU . . . -72.14 -28.55 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.65 -45.35 83.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.445 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.49 ' O ' HG12 ' X' ' 29' ' ' VAL . 3.0 p -75.41 -43.72 48.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.596 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' CG1' ' X' ' 29' ' ' VAL . . . -62.68 -40.2 96.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.018 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.533 ' CD ' ' O ' ' X' ' 23' ' ' ALA . 40.6 mt-10 -57.44 -43.4 83.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.877 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -68.23 -46.38 70.68 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.019 -0.272 . . . . 0.0 111.722 -178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . 0.49 HG12 ' O ' ' X' ' 25' ' ' THR . 2.8 p -68.14 -44.49 84.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' X' ' 34' ' ' ALA . 0.2 OUTLIER -62.78 -36.61 83.68 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.025 -179.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' X' ' 35' ' ' ASN . 1.8 mttt -58.08 -45.83 86.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.68 -49.6 25.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -66.21 -44.63 83.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.849 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' X' ' 30' ' ' PHE . . . -64.73 -41.52 95.9 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . 0.541 ' CG ' ' O ' ' X' ' 31' ' ' LYS . 8.6 m120 -62.91 -39.52 94.79 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.4 -26.87 68.13 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.431 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -85.95 -6.22 59.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.842 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.57 20.73 28.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.635 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.511 ' O ' ' ND2' ' X' ' 35' ' ' ASN . 53.7 t -86.4 108.51 17.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.339 -0.545 . . . . 0.0 109.769 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.06 167.4 16.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.417 . . . . 0.0 111.158 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' X' ' 55' ' ' THR . . . 144.08 -157.85 27.25 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . 0.55 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.7 tt0 -109.69 116.38 31.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -104.42 149.63 25.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.125 0.488 . . . . 0.0 111.228 -178.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . 0.437 ' O ' ' CE2' ' X' ' 52' ' ' PHE . 0.3 OUTLIER -151.29 169.4 22.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.36 -179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.07 101.57 10.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.656 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.7 141.27 29.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.406 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.47 -31.09 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.751 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.64 65.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.456 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 3.0 p -119.54 -2.64 10.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.32 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mttp 53.01 57.12 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 2.9 t -143.9 150.27 38.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.801 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' OH ' ' X' ' 3' ' ' TYR . 0.2 OUTLIER -107.12 134.51 50.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.159 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.57 137.09 55.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.008 0.432 . . . . 0.0 111.389 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' X' ' 42' ' ' GLU . 93.6 t -135.08 123.93 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.845 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.55 ' H ' ' H ' ' X' ' 42' ' ' GLU . 58.0 m -124.94 114.66 19.45 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.466 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' X' ' 55' ' ' THR . 2.3 tp10 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.68 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.57 ' CG ' ' H ' ' X' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.57 ' H ' ' CG ' ' X' ' 1' ' ' MET . 1.9 mt-30 -126.78 123.01 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -135.88 148.38 48.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.552 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -133.9 142.97 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.229 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mp -121.98 105.21 10.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.169 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 8.8 mt -102.04 106.83 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.915 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.538 ' H ' HD12 ' X' ' 7' ' ' LEU . 0.2 OUTLIER -113.44 124.7 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 0.0 110.613 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.661 HD22 ' H ' ' X' ' 10' ' ' LYS . 1.7 t30 -103.83 114.28 28.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.357 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -83.66 45.64 3.5 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.661 ' H ' HD22 ' X' ' 8' ' ' ASN . 5.7 ttpm? 62.46 -55.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.269 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.623 ' N ' ' O ' ' X' ' 9' ' ' GLY . 7.9 t -112.24 5.76 18.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' X' ' 12' ' ' LEU . 16.0 tp -138.39 146.39 42.18 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.386 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -135.06 148.04 49.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.671 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.98 160.43 28.14 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.796 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . 0.544 ' OE2' ' N ' ' X' ' 16' ' ' THR . 0.5 OUTLIER -138.72 138.55 37.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . 0.544 ' N ' ' OE2' ' X' ' 15' ' ' GLU . 2.8 t -144.17 166.34 25.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 111.023 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . 0.429 ' O ' HG23 ' X' ' 18' ' ' THR . 0.7 OUTLIER -138.92 132.08 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.388 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . 0.429 HG23 ' O ' ' X' ' 17' ' ' THR . 23.7 p -154.61 146.07 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.614 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -110.83 113.74 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.32 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' X' ' 1' ' ' MET . . . -141.39 167.55 21.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.811 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . 0.697 HG22 ' O ' ' X' ' 21' ' ' VAL . 14.5 p -129.11 14.97 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.395 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' X' ' 26' ' ' ALA . 0.5 OUTLIER -116.31 78.01 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.364 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.72 -45.59 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.796 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.17 -45.07 94.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.882 ' O ' HG23 ' X' ' 29' ' ' VAL . 0.2 OUTLIER -76.11 -42.46 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.198 -179.731 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' X' ' 22' ' ' ASP . . . -66.12 -42.45 89.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.839 -178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.543 ' CD ' ' N ' ' X' ' 28' ' ' LYS . 1.9 pp20? -57.28 -45.12 84.4 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.227 -178.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . 0.543 ' N ' ' CD ' ' X' ' 27' ' ' GLU . 11.8 tttt -69.3 -41.12 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 0.0 110.442 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . 0.882 HG23 ' O ' ' X' ' 25' ' ' THR . 40.6 t -68.63 -39.33 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.531 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -35.21 75.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.598 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -31.22 71.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.01 0.434 . . . . 0.0 109.969 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.07 -49.36 45.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.39 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' X' ' 33' ' ' TYR . 0.0 OUTLIER -62.33 -43.02 99.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.294 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.885 ' HB1' HG23 ' X' ' 39' ' ' VAL . . . -61.71 -46.26 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.24 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -45.78 86.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.145 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.4 -28.41 68.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.11 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.22 -9.35 56.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.709 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.41 17.77 63.68 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 121.205 -0.521 . . . . 0.0 112.193 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.885 HG23 ' HB1' ' X' ' 34' ' ' ALA . 5.1 m -99.44 109.05 23.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.037 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -126.05 167.94 14.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.218 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . 0.446 ' HA3' HG12 ' X' ' 54' ' ' VAL . . . 157.73 -153.82 24.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . 0.597 ' H ' ' H ' ' X' ' 55' ' ' THR . 11.9 mt-10 -96.26 116.04 28.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.8 149.54 24.94 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.341 -0.544 . . . . 0.0 111.348 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.5 138.71 20.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.621 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 102.53 14.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.056 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.65 119.88 38.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.193 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.36 -23.59 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.692 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.65 -33.02 66.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.459 ' O ' ' C ' ' X' ' 50' ' ' LYS . 2.1 p -119.68 9.46 11.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.693 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' X' ' 49' ' ' THR . 9.8 mttt 34.48 56.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 38.3 m -137.94 135.39 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 111.046 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.88 148.23 29.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.056 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -143.51 135.8 27.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.066 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.446 HG12 ' HA3' ' X' ' 41' ' ' GLY . 6.6 t -135.92 123.76 35.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.453 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.597 ' H ' ' H ' ' X' ' 42' ' ' GLU . 3.2 m -125.0 115.6 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.689 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.572 ' C ' ' O ' ' X' ' 55' ' ' THR . 1.9 pp20? . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.932 -1.032 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 14.2 ttm . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.76 129.21 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.115 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -138.14 141.19 40.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.295 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.644 ' O ' ' N ' ' X' ' 52' ' ' PHE . 0.4 OUTLIER -121.97 134.02 54.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.213 179.09 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.543 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -131.39 105.75 7.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.811 -178.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.433 ' H ' HG12 ' X' ' 6' ' ' ILE . 1.5 pt -109.16 106.46 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.69 HD23 ' N ' ' X' ' 7' ' ' LEU . 0.2 OUTLIER -114.32 130.66 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.364 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.441 ' C ' ' H ' ' X' ' 10' ' ' LYS . 0.5 OUTLIER -109.77 114.17 27.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.97 178.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . 0.585 ' O ' ' CB ' ' X' ' 10' ' ' LYS . . . -78.07 32.83 1.74 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' X' ' 9' ' ' GLY . 1.8 tttp 91.5 -63.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.935 0.398 . . . . 0.0 110.45 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.565 ' O ' HD23 ' X' ' 12' ' ' LEU . 3.2 m -111.86 -6.52 14.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.82 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.565 HD23 ' O ' ' X' ' 11' ' ' THR . 22.2 mt -124.97 125.64 44.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.816 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.74 149.29 47.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.412 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.45 -179.54 30.65 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -130.02 139.22 51.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.599 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.5 147.97 45.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.375 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . 0.423 ' O ' HG23 ' X' ' 17' ' ' THR . 14.7 t -132.76 132.85 42.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.652 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 74.9 p -144.45 134.78 24.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . 0.641 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 0.0 OUTLIER -118.42 105.91 12.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.755 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.4 175.11 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.38 42.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.047 0.451 . . . . 0.0 110.315 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' X' ' 23' ' ' ALA . 0.2 OUTLIER 177.47 13.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.848 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.591 ' O ' ' N ' ' X' ' 27' ' ' GLU . . . -52.85 -22.32 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.87 79.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.634 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.422 ' H ' ' HG1' ' X' ' 25' ' ' THR . 16.5 p -74.66 -47.03 34.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.971 0.415 . . . . 0.0 110.095 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.73 -41.31 79.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.851 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.598 ' O ' ' NZ ' ' X' ' 31' ' ' LYS . 3.8 mm-40 -57.88 -37.96 74.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -60.45 -35.85 76.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.36 -41.6 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.38 -29.45 70.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.296 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.598 ' NZ ' ' O ' ' X' ' 27' ' ' GLU . 27.5 mmtm -73.04 -35.87 66.82 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -63.29 -42.99 99.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.86 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -69.0 -37.46 78.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.981 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.41 -38.02 77.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.477 179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.94 -46.99 81.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.89 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -25.43 67.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.954 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -85.91 -6.72 59.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.037 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.22 22.92 23.65 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.609 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 66.1 t -87.82 108.85 18.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.447 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -127.0 167.51 15.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.02 -179.61 32.68 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . 0.469 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 4.1 pt-20 -88.05 116.87 26.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.441 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.541 ' CD2' HG11 ' X' ' 54' ' ' VAL . 87.2 m95 -102.2 148.15 25.77 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.261 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 2.6 t -156.2 169.51 24.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.752 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.485 ' HA ' ' CZ ' ' X' ' 52' ' ' PHE . 15.7 m-85 -113.36 102.34 10.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.41 146.65 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.246 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -129.03 -36.34 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.671 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.45 -36.66 61.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.407 ' O ' ' C ' ' X' ' 50' ' ' LYS . 0.0 OUTLIER -119.56 6.36 11.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.345 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' X' ' 49' ' ' THR . 11.0 mtmm 39.08 59.45 1.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.418 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -148.29 136.82 21.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.785 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.644 ' N ' ' O ' ' X' ' 4' ' ' LYS . 3.7 m-30 -106.25 141.63 37.27 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.57 141.6 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.178 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.541 HG11 ' CD2' ' X' ' 43' ' ' TRP . 1.4 m -147.5 123.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.314 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.623 ' O ' ' C ' ' X' ' 56' ' ' GLU . 0.2 OUTLIER -125.56 116.77 22.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.565 179.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.623 ' C ' ' O ' ' X' ' 55' ' ' THR . 42.6 tp10 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.014 -0.994 . . . . 0.0 111.346 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 33.6 mtt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.439 HE21 ' C ' ' X' ' 3' ' ' TYR . 3.5 tm0? -96.14 140.91 30.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.512 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.439 ' C ' HE21 ' X' ' 2' ' ' GLN . 25.9 p90 -144.11 167.87 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.51 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -127.04 139.51 52.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.861 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -109.53 105.1 14.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.726 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 51.9 mt -103.99 110.61 30.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' X' ' 54' ' ' VAL . 0.5 OUTLIER -107.54 105.38 15.25 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.361 -179.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' X' ' 8' ' ' ASN . 0.6 OUTLIER -117.73 112.23 20.18 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 178.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.22 -154.44 6.51 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.633 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.439 ' HZ3' ' HB2' ' X' ' 10' ' ' LYS . 0.0 OUTLIER -53.16 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 110.236 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.514 ' C ' HD12 ' X' ' 12' ' ' LEU . 6.5 m -111.71 6.8 20.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.211 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.702 ' N ' HD12 ' X' ' 12' ' ' LEU . 7.5 mp -103.61 121.81 43.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.48 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -142.72 139.2 31.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.145 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -168.34 152.8 21.27 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -140.94 138.49 33.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.504 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -142.9 166.31 24.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.444 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.0 132.83 30.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.771 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 1.5 m -150.46 138.24 19.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.445 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -112.34 119.54 38.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.638 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.13 169.93 19.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.491 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 35.5 m -107.58 19.51 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -159.79 59.17 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.492 ' O ' ' CG ' ' X' ' 27' ' ' GLU . . . -73.22 -25.05 60.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.24 -44.55 95.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 3.8 m -74.56 -45.81 43.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.769 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.8 85.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' X' ' 23' ' ' ALA . 18.3 mm-40 -57.68 -39.63 77.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.894 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -63.7 -46.68 84.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.924 0.392 . . . . 0.0 110.196 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 48.3 t -68.77 -41.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.582 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.52 -29.34 70.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.004 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.75 -51.3 67.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.045 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -63.97 -34.48 78.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.974 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.4 -34.81 68.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.092 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.542 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -71.33 -42.51 68.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -27.39 63.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.049 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.86 -33.7 74.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.044 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' X' ' 37' ' ' ASN . 10.2 t-20 -89.5 -1.85 58.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.749 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . 0.489 ' O ' ' OD1' ' X' ' 40' ' ' ASP . . . 94.77 23.63 20.22 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.53 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.542 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 24.0 t -86.92 108.54 18.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.303 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . 0.587 ' OD2' ' OE1' ' X' ' 56' ' ' GLU . 0.0 OUTLIER -126.17 168.43 14.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.15 -173.28 25.65 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . 0.478 ' H ' ' H ' ' X' ' 55' ' ' THR . 27.8 tt0 -96.16 121.65 38.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.767 ' CE2' HG11 ' X' ' 54' ' ' VAL . 15.0 m95 -103.14 148.1 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 0.0 110.991 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.05 137.84 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.898 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.768 ' N ' ' CD1' ' X' ' 45' ' ' TYR . 0.0 OUTLIER -90.64 101.73 14.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.146 179.677 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -103.2 113.87 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.704 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.04 -24.07 20.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.415 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.38 79.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.399 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.434 ' O ' ' C ' ' X' ' 50' ' ' LYS . 72.0 p -118.84 6.52 11.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.203 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.7 mttm 36.18 49.64 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.419 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -141.38 142.02 33.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -107.02 139.84 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.022 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.435 ' O ' ' O ' ' X' ' 42' ' ' GLU . 0.6 OUTLIER -133.35 131.22 39.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 111.169 -179.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.767 HG11 ' CE2' ' X' ' 43' ' ' TRP . 0.1 OUTLIER -128.77 123.55 59.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.444 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.478 ' H ' ' H ' ' X' ' 42' ' ' GLU . 24.2 p -125.48 115.54 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.389 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.587 ' OE1' ' OD2' ' X' ' 40' ' ' ASP . 2.4 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.348 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.764 HE21 ' N ' ' X' ' 3' ' ' TYR . 0.0 OUTLIER -122.22 129.22 52.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.496 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.764 ' N ' HE21 ' X' ' 2' ' ' GLN . 96.7 m-85 -133.39 165.86 23.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.317 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.524 ' C ' HD23 ' X' ' 5' ' ' LEU . 28.1 mttp -133.67 131.82 39.97 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.56 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -114.4 103.72 11.34 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.043 179.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' X' ' 53' ' ' THR . 8.1 mt -102.05 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.429 ' CB ' ' HB ' ' X' ' 54' ' ' VAL . 0.2 OUTLIER -98.43 107.06 19.44 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.281 -0.568 . . . . 0.0 110.797 -179.249 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.631 HD21 ' CD ' ' X' ' 13' ' ' LYS . 0.3 OUTLIER -92.35 112.99 25.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . 0.697 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -98.66 161.67 20.4 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' X' ' 9' ' ' GLY . 1.2 tttt -39.02 -68.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.446 ' N ' ' HG2' ' X' ' 10' ' ' LYS . 8.6 t -112.18 7.82 19.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.607 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.697 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.8 OUTLIER -132.27 139.25 48.18 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.464 -179.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.631 ' CD ' HD21 ' X' ' 8' ' ' ASN . 5.5 mtmp? -136.38 156.37 48.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.809 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.41 138.52 5.49 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.387 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . 0.551 ' OE2' ' O ' ' X' ' 15' ' ' GLU . 0.7 OUTLIER -133.46 138.7 46.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.135 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.25 175.73 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.68 134.78 48.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.212 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.45 148.11 29.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.73 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.92 110.59 20.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.553 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.24 157.45 43.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.596 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . 0.545 HG22 ' O ' ' X' ' 21' ' ' VAL . 9.9 p -108.69 22.8 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.448 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.86 41.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' X' ' 27' ' ' GLU . . . -53.96 -23.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.634 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.17 -44.52 88.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.557 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.32 -46.44 33.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.529 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.33 84.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.682 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' X' ' 23' ' ' ALA . 16.1 tp10 -60.28 -39.87 88.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.442 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.72 -39.64 89.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.986 0.422 . . . . 0.0 109.966 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . . . . . . . . . 19.8 t -67.26 -41.51 86.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.81 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' X' ' 34' ' ' ALA . 1.4 m-85 -63.35 -26.36 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -56.77 -30.87 64.05 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -69.78 -45.01 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.63 -35.6 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.815 178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.695 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -63.03 -46.28 88.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -56.79 -46.05 81.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.949 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.31 -24.19 66.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.7 -5.59 59.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.46 19.75 31.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.695 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 56.2 t -105.16 108.33 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.533 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . 0.676 ' OD1' ' N ' ' X' ' 41' ' ' GLY . 45.6 t0 -127.19 163.44 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.204 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . 0.676 ' N ' ' OD1' ' X' ' 40' ' ' ASP . . . 147.94 -157.1 27.22 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . 0.477 ' H ' ' H ' ' X' ' 55' ' ' THR . 9.4 mt-10 -118.8 122.49 42.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.771 0.32 . . . . 0.0 110.153 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.549 ' N ' ' CD1' ' X' ' 43' ' ' TRP . 8.9 m95 -102.73 149.25 24.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.43 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.59 162.35 39.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -120.21 105.7 11.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.476 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' X' ' 51' ' ' THR . 0.4 OUTLIER -96.28 165.94 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.649 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.94 -12.71 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.31 -36.44 39.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.591 ' O ' ' N ' ' X' ' 51' ' ' THR . 26.3 p -119.25 12.81 12.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.816 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' X' ' 49' ' ' THR . 1.2 mttm 29.56 36.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.538 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . 0.591 ' N ' ' O ' ' X' ' 49' ' ' THR . 6.6 t -130.11 150.8 51.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 1.2 m-85 -107.55 142.54 37.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.232 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' X' ' 6' ' ' ILE . 75.9 p -128.29 152.12 48.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.431 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' X' ' 43' ' ' TRP . 19.7 t -135.35 124.36 40.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.659 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.55 ' O ' ' C ' ' X' ' 56' ' ' GLU . 8.8 m -124.76 114.63 19.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.661 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.55 ' C ' ' O ' ' X' ' 55' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.098 -0.954 . . . . 0.0 110.944 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -126.24 130.23 50.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.395 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' HB2' ' X' ' 20' ' ' ALA . 0.1 OUTLIER -144.04 162.04 37.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.406 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -130.51 144.09 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.387 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.35 105.27 11.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.403 ' N ' HD13 ' X' ' 6' ' ' ILE . 3.1 mm -101.81 121.92 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.053 0.454 . . . . 0.0 110.362 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.62 107.46 16.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.96 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' X' ' 55' ' ' THR . 0.8 OUTLIER -101.95 114.49 28.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.223 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.57 40.89 2.89 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt 71.5 -58.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.58 ' C ' HD12 ' X' ' 12' ' ' LEU . 43.1 p -112.42 1.94 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.754 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.58 HD12 ' C ' ' X' ' 11' ' ' THR . 7.6 mp -125.34 151.1 46.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.38 . . . . 0.0 111.028 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.447 ' NZ ' ' HB2' ' X' ' 13' ' ' LYS . 9.1 mtmp? -141.3 154.32 45.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.228 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.42 166.01 31.56 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -140.67 139.57 34.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 110.431 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -144.85 176.62 9.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.585 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.94 137.81 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.426 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 6.7 t -155.16 154.33 32.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.641 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . 0.646 ' OE1' ' N ' ' X' ' 19' ' ' GLU . 34.4 mp0 -103.98 138.97 39.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.992 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' X' ' 3' ' ' TYR . . . -94.54 147.72 22.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.16 0.505 . . . . 0.0 111.342 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 7.0 p -178.5 -10.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.757 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.02 42.04 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.94 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.23 -24.97 20.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.314 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.59 87.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.785 0.326 . . . . 0.0 110.682 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 39.8 p -75.9 -45.89 32.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.74 87.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.429 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -57.37 -25.39 59.41 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.152 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -63.25 -47.73 81.18 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.1 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . 0.465 HG13 ' H ' ' X' ' 29' ' ' VAL . 0.9 OUTLIER -70.0 -41.69 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.381 179.406 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.447 ' N ' ' CG2' ' X' ' 29' ' ' VAL . 0.1 OUTLIER -64.69 -35.11 79.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.136 -179.399 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -51.45 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.956 0.408 . . . . 0.0 109.901 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.29 98.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.621 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -44.81 95.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.749 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -62.98 -42.86 99.96 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -43.68 96.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.649 179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -57.6 -29.43 64.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.753 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -89.75 -6.78 55.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.92 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.15 16.09 58.08 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.557 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 71.9 t -88.09 107.57 17.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.295 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.47 167.74 15.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.626 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . 0.654 ' O ' ' CE2' ' X' ' 43' ' ' TRP . . . 154.03 -170.79 32.65 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -91.96 116.45 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.654 ' CE2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.65 148.32 26.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.153 0.502 . . . . 0.0 111.323 -178.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.12 165.74 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.922 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -106.21 106.87 17.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.79 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.95 131.61 46.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.462 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.65 -46.55 4.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.916 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 -28.63 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.673 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.522 ' O ' ' C ' ' X' ' 50' ' ' LYS . 12.4 p -117.48 8.48 12.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.607 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' X' ' 49' ' ' THR . 21.4 mtmt 28.49 50.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.467 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 21.5 m -135.92 145.4 46.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -117.66 132.8 56.44 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.543 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' X' ' 6' ' ' ILE . 6.0 t -139.39 157.66 45.48 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.915 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.541 ' CG1' ' CE1' ' X' ' 52' ' ' PHE . 0.7 OUTLIER -147.3 124.49 3.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.948 179.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.551 ' O ' ' C ' ' X' ' 56' ' ' GLU . 2.7 m -122.9 115.56 22.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.828 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.551 ' C ' ' O ' ' X' ' 55' ' ' THR . 6.9 tt0 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.494 ' C ' ' CD1' ' X' ' 3' ' ' TYR . 8.2 tt0 -125.96 132.16 52.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.504 ' CE2' ' HB2' ' X' ' 23' ' ' ALA . 0.2 OUTLIER -143.02 167.87 21.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 111.024 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.871 ' C ' HD23 ' X' ' 5' ' ' LEU . 21.9 mtpp -137.95 143.14 40.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.91 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.895 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.0 OUTLIER -118.32 108.68 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.897 -179.457 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' X' ' 53' ' ' THR . 37.2 mt -101.36 106.84 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.868 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.7 ' O ' HD12 ' X' ' 7' ' ' LEU . 2.3 pp -110.6 121.37 45.14 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.068 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -105.23 114.46 28.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . 0.676 ' O ' ' N ' ' X' ' 11' ' ' THR . . . -85.89 48.52 3.98 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.85 -56.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.072 0.463 . . . . 0.0 109.812 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . 0.676 ' N ' ' O ' ' X' ' 9' ' ' GLY . 0.0 OUTLIER -112.26 3.38 17.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.563 179.623 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' X' ' 9' ' ' GLY . 0.3 OUTLIER -131.86 143.17 49.97 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -131.57 146.02 52.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.289 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.65 143.32 8.24 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -131.77 152.41 50.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.03 170.26 16.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 28.3 m -143.31 134.97 26.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 11.2 m -148.03 146.08 28.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mp0 -113.98 108.87 17.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.447 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 162.99 36.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.651 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.63 40.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.232 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' X' ' 22' ' ' ASP . 12.7 p-10 -174.31 53.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.164 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . 0.504 ' HB2' ' CE2' ' X' ' 3' ' ' TYR . . . -67.08 -29.32 69.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.664 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.66 -45.56 89.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.68 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . 0.549 ' O ' HG23 ' X' ' 29' ' ' VAL . 5.9 m -75.41 -44.61 43.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.47 90.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.89 -46.88 84.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.93 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -64.48 -42.22 96.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.907 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . 0.549 HG23 ' O ' ' X' ' 25' ' ' THR . 60.3 t -66.96 -41.98 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.988 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.42 -38.17 89.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.002 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.44 ' NZ ' HG11 ' X' ' 54' ' ' VAL . 1.9 mmpt? -61.34 -39.49 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.454 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.55 -44.57 89.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.079 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -65.86 -38.07 87.83 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.46 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -69.8 -42.33 73.87 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -61.86 -42.63 99.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.592 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.777 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.7 -3.68 58.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.781 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.42 18.79 34.64 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.535 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.46 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 85.2 t -89.57 108.25 19.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.195 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . 0.557 ' CG ' ' N ' ' X' ' 41' ' ' GLY . 0.5 OUTLIER -126.62 167.5 15.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.691 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . 0.662 ' O ' ' CZ2' ' X' ' 43' ' ' TRP . . . 157.73 -162.89 32.37 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' X' ' 54' ' ' VAL . 0.7 OUTLIER -102.75 115.85 31.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.828 0.347 . . . . 0.0 110.095 179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.662 ' CZ2' ' O ' ' X' ' 41' ' ' GLY . 0.0 OUTLIER -104.87 149.59 25.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . 0.423 HG22 ' H ' ' X' ' 45' ' ' TYR . 1.2 m -155.45 166.83 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.635 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . 0.423 ' H ' HG22 ' X' ' 44' ' ' THR . 3.4 m-85 -97.29 102.61 14.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.635 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' X' ' 46' ' ' ASP . 0.9 OUTLIER -105.39 125.53 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.362 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -111.17 -29.46 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.762 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.06 -20.27 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . 0.608 ' O ' ' N ' ' X' ' 51' ' ' THR . 67.6 p -104.8 6.48 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.754 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt 40.06 18.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . 0.608 ' N ' ' O ' ' X' ' 49' ' ' THR . 9.2 t -148.33 144.94 27.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.657 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.741 ' CD1' ' N ' ' X' ' 53' ' ' THR . 0.0 OUTLIER -109.55 161.25 15.53 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.741 ' N ' ' CD1' ' X' ' 52' ' ' PHE . 9.3 t -144.59 153.42 41.77 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 119.877 -0.729 . . . . 0.0 112.335 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.44 HG11 ' NZ ' ' X' ' 31' ' ' LYS . 2.2 p -142.08 123.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.253 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.546 ' O ' ' C ' ' X' ' 56' ' ' GLU . 10.3 m -124.65 115.47 20.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.077 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' X' ' 55' ' ' THR . 11.5 tt0 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.821 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' MET . . . . . 0.559 ' CG ' ' N ' ' X' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' X' ' 1' ' ' MET . 9.8 mt-30 -102.15 136.24 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.405 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' X' ' 1' ' ' MET . 62.5 m-85 -130.99 165.78 22.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.624 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.555 ' C ' HD23 ' X' ' 5' ' ' LEU . 4.8 mttm -128.75 138.63 52.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.779 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.585 HD23 ' N ' ' X' ' 5' ' ' LEU . 0.1 OUTLIER -122.77 119.68 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.593 -179.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.5 107.91 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -107.87 123.55 48.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.257 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.59 114.49 28.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.767 179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' X' ' 12' ' ' LEU . . . -81.6 28.4 3.12 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' LYS . . . . . 0.461 ' CG ' ' C ' ' X' ' 9' ' ' GLY . 3.7 mtmm 76.15 -58.64 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.98 0.419 . . . . 0.0 109.977 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' THR . . . . . . . . . . . . . 7.2 p -111.67 -3.57 14.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.247 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' X' ' 9' ' ' GLY . 4.9 mt -138.63 151.1 46.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.65 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.504 ' HB3' ' HZ3' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -132.64 151.23 52.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.68 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.77 158.74 29.03 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' GLU . . . . . 0.571 ' N ' ' CD ' ' X' ' 15' ' ' GLU . 0.0 OUTLIER -137.04 144.38 43.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.533 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.68 170.15 16.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.561 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -126.31 151.79 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.424 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -155.1 142.73 19.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 110.974 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.0 105.67 12.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.219 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.06 176.17 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' VAL . . . . . 0.555 ' O ' ' OD1' ' X' ' 22' ' ' ASP . 3.1 m -94.99 8.91 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.555 ' OD1' ' O ' ' X' ' 21' ' ' VAL . 34.6 m-20 -178.61 84.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.21 -23.81 63.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.142 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.37 88.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.148 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -44.08 64.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.033 179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.5 -37.79 88.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.215 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.63 -28.81 67.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.729 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -60.39 -46.33 90.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 29' ' ' VAL . . . . . 0.473 ' CG2' ' N ' ' X' ' 30' ' ' PHE . 0.6 OUTLIER -66.09 -41.7 90.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.27 179.771 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 30' ' ' PHE . . . . . 0.473 ' N ' ' CG2' ' X' ' 29' ' ' VAL . 0.2 OUTLIER -65.05 -34.05 77.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.715 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 31' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' X' ' 35' ' ' ASN . 0.0 OUTLIER -58.86 -49.97 75.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -48.0 82.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.119 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 33' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -65.86 -38.49 88.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.149 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 34' ' ' ALA . . . . . 0.472 ' HB1' ' HB ' ' X' ' 39' ' ' VAL . . . -71.14 -37.66 72.26 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 35' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' X' ' 31' ' ' LYS . 6.0 t-20 -56.67 -36.81 70.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.803 179.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 36' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.25 -26.28 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.813 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -87.37 -7.84 57.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.957 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.19 23.32 22.59 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.817 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 39' ' ' VAL . . . . . 0.472 ' HB ' ' HB1' ' X' ' 34' ' ' ALA . 53.5 t -80.53 108.68 14.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 120.252 -0.579 . . . . 0.0 110.066 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 40' ' ' ASP . . . . . 0.572 ' O ' ' OXT' ' X' ' 56' ' ' GLU . 0.3 OUTLIER -126.32 167.14 15.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.207 -179.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 41' ' ' GLY . . . . . 0.59 ' HA3' HG12 ' X' ' 54' ' ' VAL . . . 143.37 -171.9 24.97 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 42' ' ' GLU . . . . . 0.546 ' H ' ' H ' ' X' ' 55' ' ' THR . 3.2 tt0 -96.57 115.68 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.784 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 43' ' ' TRP . . . . . 0.583 ' CD2' ' N ' ' X' ' 43' ' ' TRP . 0.0 OUTLIER -106.66 149.71 26.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.701 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -156.56 164.92 37.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.083 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 45' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 101.61 10.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.709 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -115.03 144.06 44.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.848 0.356 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -122.05 -25.21 4.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.38 -31.59 45.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.335 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -3.32 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.122 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 50' ' ' LYS . . . . . . . . . . . . . 21.8 mttt 53.14 45.6 28.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.68 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -148.65 146.12 28.03 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.465 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 52' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' X' ' 4' ' ' LYS . 5.9 m-85 -107.89 154.41 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 53' ' ' THR . . . . . 0.499 ' O ' ' O ' ' X' ' 42' ' ' GLU . 4.6 m -143.49 143.04 31.4 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.952 -0.699 . . . . 0.0 112.186 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 54' ' ' VAL . . . . . 0.59 HG12 ' HA3' ' X' ' 41' ' ' GLY . 2.3 t -135.24 122.43 35.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.928 178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 55' ' ' THR . . . . . 0.636 ' O ' ' CB ' ' X' ' 56' ' ' GLU . 45.1 m -125.52 114.61 19.01 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.194 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 56' ' ' GLU . . . . . 0.636 ' CB ' ' O ' ' X' ' 55' ' ' THR . 7.5 tp10 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.995 179.212 . . . . . . . . 1 1 . 1 stop_ save_