data_2lhe_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 2lhe _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 ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 m . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.455 0.169 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.537 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 4.4 m-30 -84.67 161.14 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -134.84 134.1 40.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.509 HD22 ' CD1' ' A' ' 30' ' ' PHE . 18.6 tp -119.89 143.99 47.65 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.233 0.539 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 mm -139.15 116.16 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.221 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -100.94 130.54 46.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 110.914 -178.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.9 136.85 54.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.173 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.711 179.832 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -98.28 157.13 16.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.727 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -125.55 161.97 25.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.012 0.434 . . . . 0.0 111.6 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -163.17 143.0 8.86 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.459 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -136.51 141.79 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.959 0.409 . . . . 0.0 111.515 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.9 mmtt -144.41 121.06 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.327 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.81 111.47 23.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.219 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.61 143.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.14 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.17 -32.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.938 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -77.36 86.97 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.554 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -45.17 -39.47 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.559 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.474 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.24 -25.61 54.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.396 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.0 mm -71.25 -40.61 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.726 0.298 . . . . 0.0 110.73 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB1' ' CZ ' ' A' ' 30' ' ' PHE . . . -65.06 -47.96 75.48 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.098 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -54.8 -34.87 63.24 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.3 mmtt -61.25 -36.73 80.78 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.163 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -83.95 -35.74 23.77 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.947 0.879 . . . . 0.0 110.918 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 21.8 m-30 -63.75 -39.28 93.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.013 -1.449 . . . . 0.0 107.588 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 6.4 ptpt -81.37 -21.53 38.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.655 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 8.6 tp -66.18 -46.23 78.09 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.447 ' CD1' ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.76 -32.6 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.742 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -60.69 -32.0 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.071 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -84.09 -32.24 24.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.013 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.02 -39.39 50.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.71 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' CG ' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.85 -56.0 3.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.82 -165.68 1.26 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -128.91 -51.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.631 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 175.25 139.75 0.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.66 -168.89 30.47 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.048 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 30.9 m -78.66 107.86 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 0.0 110.497 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.0 m95 -83.47 133.27 34.91 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.508 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 p -146.96 150.17 34.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.668 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.528 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 29.4 t80 -138.53 142.54 39.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 136.09 48.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.603 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -92.52 -28.69 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -32.41 37.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.456 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.24 15.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.942 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 47.98 77.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 111.236 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.8 m -143.17 127.66 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 111.379 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.528 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.8 m-85 -97.94 141.19 31.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.04 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -143.78 139.93 29.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.073 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.502 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 144.18 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 178.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.411 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.19 129.51 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.07 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.881 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.616 0.246 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.627 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -88.9 155.66 19.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -131.53 133.0 44.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.517 HD21 ' CD1' ' A' ' 30' ' ' PHE . 19.5 tp -119.93 143.94 47.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.311 0.577 . . . . 0.0 112.031 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.4 mm -138.62 116.37 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.907 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 1.1 mp -102.35 130.38 49.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.076 0.465 . . . . 0.0 111.507 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.26 110.55 11.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.349 0 CA-C-O 120.633 0.254 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -124.16 157.29 35.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -123.27 162.42 22.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.37 143.11 4.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.945 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.3 pt -137.54 142.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.425 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.601 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 34.4 mmtt -143.6 104.06 4.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.614 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.76 112.4 8.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.56 172.4 1.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.062 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.2 p -102.65 -43.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -66.43 88.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.34 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.58 -30.81 0.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.977 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.457 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.87 -27.97 71.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.514 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.1 mm -71.16 -40.23 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -66.63 -46.78 74.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -56.08 -31.45 63.23 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -64.4 -39.74 94.43 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.44 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -81.63 -37.67 27.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 122.03 0.919 . . . . 0.0 110.782 179.253 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.627 ' HZ ' ' HB3' ' A' ' 3' ' ' TYR . 19.7 m-30 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.455 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 12.3 ptpt -80.14 -21.52 43.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.429 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 13.1 tp -67.32 -44.17 79.8 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.455 ' CD1' ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.92 -33.53 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -59.88 -28.51 67.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.013 0.435 . . . . 0.0 110.149 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.66 -32.46 18.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.098 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.57 57.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' CG ' ' CD1' ' A' ' 33' ' ' ILE . 10.1 mmtp -93.84 -55.86 3.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -164.14 1.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -61.58 2.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.8 156.15 0.05 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.358 0.599 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.7 -155.84 10.83 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.866 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.428 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 3.0 m -78.59 104.6 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 110.146 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CG ' HG23 ' A' ' 54' ' ' VAL . 11.2 m95 -82.81 132.23 35.17 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.813 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -146.97 150.35 34.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.657 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.0 t80 -138.61 142.71 39.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.0 111.345 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -107.51 136.15 47.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -92.62 -28.68 16.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.044 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -34.66 55.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.29 12.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 49.9 78.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 111.265 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.3 m -147.14 127.07 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.3 m-85 -96.41 142.94 27.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.75 138.11 28.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.084 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.503 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 143.67 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.55 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.428 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.02 150.37 52.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.857 179.644 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.341 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.566 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.5 m-30 -101.26 152.95 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -130.4 135.6 48.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.095 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 30' ' ' PHE . 17.3 tp -119.86 143.77 47.73 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.186 0.517 . . . . 0.0 111.656 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.8 mm -137.78 116.41 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.226 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.4 mp -100.51 132.05 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.995 0.426 . . . . 0.0 111.4 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.81 106.82 8.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.917 0.389 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HB3' HD13 ' A' ' 7' ' ' LEU . 47.4 tp10 -101.04 157.0 17.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.35 162.25 23.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.072 0.463 . . . . 0.0 111.69 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 143.04 6.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.437 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.5 pt -137.99 141.96 37.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.945 0.402 . . . . 0.0 111.616 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.65 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 5.7 mmtt -144.15 123.3 12.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.331 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.21 113.0 24.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.32 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.88 141.51 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.99 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.33 -32.24 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.197 0.523 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.4 88.72 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.496 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -44.14 -33.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.715 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -58.39 -28.82 62.53 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.286 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.75 -39.83 80.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.647 0.261 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.471 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.93 -46.79 73.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.286 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.0 pt-20 -54.92 -33.52 62.25 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.605 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 14.7 mtmt -61.98 -45.29 94.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.972 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -75.78 -35.93 59.95 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.855 0.836 . . . . 0.0 111.203 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.65 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 18.7 m-30 -63.59 -40.65 97.49 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.106 -1.406 . . . . 0.0 107.626 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 8.8 ptpt -80.82 -21.61 40.69 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.528 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.2 tp -67.51 -45.19 76.52 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.458 ' CD1' ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -86.82 -31.41 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -59.79 -31.04 69.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.113 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -32.67 20.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.036 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.89 -38.63 61.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.825 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' CG ' ' CD1' ' A' ' 33' ' ' ILE . 7.0 mmmt -93.98 -55.88 3.06 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -169.14 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.76 -63.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.627 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 1.1 tt0 172.14 143.46 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.999 0.428 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -161.84 -157.1 8.69 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.062 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.55 104.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.055 0.455 . . . . 0.0 110.451 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.4 m95 -81.91 132.5 35.27 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -146.94 148.32 31.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.7 t80 -138.52 142.62 39.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.969 0.414 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.2 136.44 52.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.813 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -86.1 -26.39 25.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.55 -41.31 2.96 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.526 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.6 22.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 7.7 mptt 51.48 80.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.36 128.57 20.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 111.456 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.8 m-85 -102.46 140.33 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.045 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -143.91 141.18 30.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.171 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 144.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 178.518 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.92 151.88 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.7 m-30 -100.13 160.05 14.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.73 136.71 44.81 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' ALA . 16.3 tp -120.19 143.82 48.04 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.918 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -137.28 116.42 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.987 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.2 mp -105.76 135.79 46.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.255 0.55 . . . . 0.0 111.94 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.99 108.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.393 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 -179.605 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.945 0.402 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.41 156.97 27.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 162.31 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -166.89 143.02 4.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.032 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.2 pt -137.31 142.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.643 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 19.6 mmtt -143.44 136.87 28.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.578 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.79 108.49 19.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.771 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.09 170.17 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.398 . . . . 0.0 111.382 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -80.55 -30.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -110.25 -149.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -128.24 -38.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.249 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.519 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.94 -24.87 21.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.7 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.84 -44.47 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -63.96 -45.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.464 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.2 pt-20 -56.8 -32.9 66.16 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.529 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -63.29 -34.32 77.44 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.923 178.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.546 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.03 -36.07 19.95 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-O 121.994 0.902 . . . . 0.0 110.798 178.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.643 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.8 m-30 -63.01 -39.9 96.17 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 113.966 -1.47 . . . . 0.0 107.583 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.4 ptmt -80.66 -21.43 41.41 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.656 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.0 tp -66.99 -45.15 78.49 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.93 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.439 HD13 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -89.17 -35.32 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.753 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.68 -30.35 68.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.065 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -87.77 -31.92 19.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 -28.24 57.08 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.787 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' CG ' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -90.86 -48.6 6.92 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.489 179.588 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.6 p -151.6 -150.83 0.36 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.495 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -173.0 178.56 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 121.33 -0.148 . . . . 0.0 110.992 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 62.6 136.16 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.169 0.509 . . . . 0.0 111.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.16 157.19 7.05 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.787 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.67 105.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.167 0.508 . . . . 0.0 110.301 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.2 m95 -80.26 124.69 29.04 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.515 -178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 p -146.94 160.73 41.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.776 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 18.6 t80 -138.49 137.83 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -102.5 136.2 42.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -90.91 -26.55 19.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -45.71 -32.66 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.34 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.465 HG21 HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -152.32 22.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 111.676 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 5.1 mttp 49.28 78.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.0 m -145.9 123.12 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.426 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 1.4 m-85 -89.95 142.24 27.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.918 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -143.81 142.02 30.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.231 -0.441 . . . . 0.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.488 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.42 123.38 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.28 178.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.83 140.92 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.11 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.425 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.608 0.242 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.639 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.2 m-30 -110.9 154.98 23.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -131.62 138.54 48.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.492 HD23 ' CD1' ' A' ' 30' ' ' PHE . 13.7 tp -120.19 144.01 47.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.646 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.93 116.25 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.235 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.7 mp -98.99 132.16 44.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.075 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.81 103.25 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.236 0.39 0 CA-C-O 120.365 0.126 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -126.35 157.12 39.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.559 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -121.22 159.82 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.757 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -164.56 142.96 6.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.5 pt -138.58 143.75 31.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.961 0.41 . . . . 0.0 111.632 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.661 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.3 mmtt -141.36 123.63 15.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.408 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 108.61 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.703 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.01 163.18 39.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.57 -29.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.527 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -97.22 -146.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.448 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -139.52 -43.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.507 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.15 -25.21 17.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.12 -43.2 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.845 0.355 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.463 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -65.28 -47.41 76.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.417 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -54.77 -33.19 61.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 2.7 mmtt -63.15 -36.52 83.9 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.001 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.72 -34.68 24.85 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.957 0.884 . . . . 0.0 110.976 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.661 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.3 m-30 -64.82 -41.35 95.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.007 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 20.6 ptmt -76.24 -21.4 56.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.799 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -61.12 -56.78 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.001 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.465 HG13 ' HG3' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -80.35 -36.38 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.716 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -58.79 -38.1 77.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.905 0.383 . . . . 0.0 110.159 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.607 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.9 -28.56 58.13 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.509 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -82.4 -55.98 4.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.627 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.3 p -112.3 -164.55 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.783 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.47 16.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 168.67 153.19 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.293 0.568 . . . . 0.0 110.93 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 164.4 13.48 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.374 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' CB ' ' A' ' 55' ' ' THR . 27.6 m -78.7 115.64 21.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.943 0.402 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CG ' HG23 ' A' ' 54' ' ' VAL . 6.5 m95 -91.57 133.33 35.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.619 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -147.14 154.37 41.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 20.2 t80 -138.53 142.49 39.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.824 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -109.53 136.11 49.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -91.98 -28.45 17.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.49 -29.08 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.42 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.67 17.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.77 72.4 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.191 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -143.24 133.01 23.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 0.0 111.376 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.3 m-85 -97.82 143.46 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.35 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.4 m -143.6 141.76 30.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.905 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.514 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.42 145.59 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.792 178.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.403 ' CB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -129.29 145.26 51.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.977 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.517 0.199 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.5 m-30 -101.94 151.8 21.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -127.95 135.22 49.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' A' ' 30' ' ' PHE . 14.7 tp -120.2 143.82 48.04 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.374 0.607 . . . . 0.0 112.023 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.5 mm -137.1 116.21 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.914 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mp -100.57 132.55 45.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 111.701 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.25 106.52 7.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.716 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.623 0.249 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -117.35 157.06 26.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.71 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -126.47 162.32 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.254 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.45 143.05 4.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.943 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.484 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 3.4 pt -142.29 134.06 26.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.142 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.758 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.78 131.99 26.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.938 0.399 . . . . 0.0 111.22 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.49 108.52 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.84 169.12 17.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.91 -30.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.047 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.05 -151.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -120.88 -32.91 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 111.351 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.523 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -54.56 -29.67 48.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.727 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.86 -44.81 92.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.9 0.381 . . . . 0.0 111.345 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -66.34 -45.82 78.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.769 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -54.27 -31.45 53.74 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 10.4 mtmt -64.6 -45.01 88.76 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.11 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.491 ' CD2' ' HE3' ' A' ' 18' ' ' LYS . 2.2 m-85 -79.73 -36.03 38.0 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.851 0.834 . . . . 0.0 111.28 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.758 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -64.8 -34.22 77.84 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.148 -1.387 . . . . 0.0 107.831 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 15.2 ptpt -89.69 -21.38 22.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.667 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.5 tp -63.92 -46.5 84.49 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.945 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.406 HD13 ' CG ' ' A' ' 37' ' ' LYS . 1.4 tp -86.87 -36.62 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.95 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 30' ' ' PHE . . . -60.61 -31.75 70.91 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 110.222 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.75 -31.77 25.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.963 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.0 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.642 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' CG ' HD13 ' A' ' 33' ' ' ILE . 7.1 mmtt -55.47 -55.8 27.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.06 -155.97 0.68 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.653 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -166.24 -179.53 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 62.92 127.21 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.78 158.67 8.39 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.553 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 3.2 m -78.71 104.71 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.004 0.43 . . . . 0.0 110.645 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 4.9 m95 -78.89 127.77 32.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.103 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -146.82 155.35 42.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.531 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 18.3 t80 -138.61 142.69 39.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.953 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -104.97 136.17 44.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.654 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.1 -28.29 15.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.6 -35.04 53.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.2 14.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 50.72 80.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.0 m -148.13 126.34 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 111.484 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.9 m-85 -93.51 142.39 27.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.165 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 m -143.89 138.15 28.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.089 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.63 125.19 70.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 178.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.412 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -108.24 139.48 42.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.269 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.574 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.3 m-30 -103.74 154.42 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -131.44 135.29 47.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' A' ' 30' ' ' PHE . 15.9 tp -119.98 143.83 47.82 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 111.812 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mm -137.96 116.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.154 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.3 mp -101.68 135.49 43.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.769 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.16 105.57 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.665 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.831 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -104.02 157.06 17.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.492 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -122.97 161.6 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.016 0.436 . . . . 0.0 111.56 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.81 142.87 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.474 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pp -137.98 142.53 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 0.0 111.606 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.635 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -144.01 136.85 27.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.218 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.41 116.07 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.75 148.78 0.56 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -73.45 -30.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -86.7 91.03 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.585 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -44.36 -34.51 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.662 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.87 -26.74 55.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.12 -38.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.68 0.276 . . . . 0.0 110.688 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -67.46 -45.37 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.338 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.9 pt-20 -56.56 -33.2 65.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.588 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 7.4 mtmm -63.07 -43.19 99.26 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.127 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.543 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -77.6 -34.88 53.34 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-O 121.874 0.845 . . . . 0.0 111.098 179.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.635 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 18.5 m-30 -64.65 -38.48 91.15 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.731 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -84.8 -21.36 29.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.766 -1.106 . . . . 0.0 108.661 176.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 6.2 tp -65.98 -45.25 82.34 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.429 HD12 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.86 -34.94 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.775 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -57.96 -30.68 66.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 110.079 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.66 -33.03 18.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.948 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.93 -27.12 60.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.802 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' CG ' HD12 ' A' ' 33' ' ' ILE . 4.0 mmtm -92.94 -50.87 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.671 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 t -148.72 -151.68 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -172.92 179.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 62.61 135.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.206 0.527 . . . . 0.0 111.308 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.21 156.3 6.75 Favored Glycine 0 C--N 1.323 -0.157 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.74 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 m -78.73 105.44 7.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.046 0.45 . . . . 0.0 110.259 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CG ' HG21 ' A' ' 54' ' ' VAL . 7.3 m95 -78.56 125.11 28.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.374 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -146.94 157.54 43.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 8.6 t80 -138.5 124.53 20.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -99.64 136.33 39.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 49' ' ' ILE . 11.5 t0 -62.56 -99.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.35 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 50.49 -81.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.56 ' N ' ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -134.93 29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.163 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.33 93.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.4 m -149.97 132.85 16.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.284 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.463 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 1.7 m-85 -104.05 143.2 33.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.48 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.8 m -143.89 140.85 29.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.055 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG21 ' CG ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.37 123.17 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.294 178.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.51 130.36 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -103.09 151.47 22.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.084 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -131.87 135.98 47.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 18.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.244 0.545 . . . . 0.0 112.009 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.7 mm -139.36 116.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.056 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 14' ' ' GLU . 4.6 mp -103.79 141.61 35.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.011 0.434 . . . . 0.0 111.75 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.94 106.75 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.767 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 CA--C 1.53 0.208 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.158 -179.669 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 121.187 0.518 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 5.1 tp10 -114.33 144.18 43.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.281 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -109.0 160.06 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 111.516 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.77 142.86 4.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.465 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pt -141.74 141.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.657 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.4 mmtt -142.91 105.66 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.283 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.95 122.54 25.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.03 160.46 8.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.43 -28.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.97 -146.03 0.11 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.76 -44.69 0.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -53.61 -24.33 24.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.269 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.4 mm -70.05 -42.75 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.745 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.68 -47.88 73.98 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.396 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -53.91 -35.53 61.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.31 -40.58 91.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.166 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CB ' ' HD2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -79.59 -39.41 31.76 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-O 122.02 0.914 . . . . 0.0 110.975 179.315 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.657 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.1 m-30 -60.48 -40.49 91.46 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.729 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 6.3 ptpt -82.0 -21.48 37.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.614 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD21 ' CD1' ' A' ' 29' ' ' TYR . 24.1 tp -61.95 -46.49 89.06 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.092 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.43 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.1 tp -90.26 -35.59 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.765 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -61.26 -28.25 69.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.31 -31.7 18.82 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.831 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.27 -30.35 54.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.729 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.5 mmmt -91.27 -46.59 7.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.1 -160.47 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.396 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -178.3 35.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.579 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -149.88 118.0 6.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.9 158.61 9.15 Favored Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.905 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 m -78.63 107.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.265 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -78.57 128.19 33.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.444 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -146.88 150.48 35.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.3 t80 -138.53 142.58 39.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -110.97 136.2 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.614 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.27 -28.97 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.984 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.16 -34.96 59.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -135.1 8.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER 50.64 76.13 0.16 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.353 . . . . 0.0 111.246 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -146.25 125.42 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 111.524 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.9 m-85 -94.58 141.27 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.914 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -144.04 140.31 29.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.55 137.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.181 178.126 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.31 128.01 43.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.979 0.419 . . . . 0.0 111.316 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.786 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.723 0.297 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 4.1 m-30 -99.36 154.35 18.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.16 136.22 50.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 30' ' ' PHE . 16.2 tp -120.06 143.88 47.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 111.675 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.8 mm -138.52 116.26 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.357 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.8 mp -97.27 131.09 44.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.976 0.417 . . . . 0.0 111.016 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.27 92.94 3.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.457 179.709 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.331 0.586 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -132.91 157.06 46.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.643 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.86 162.31 24.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.501 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 142.98 5.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.626 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.494 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -140.41 136.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.712 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.58 138.94 31.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.848 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -105.32 119.21 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.21 135.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.199 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.55 -30.31 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.01 91.97 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.559 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.83 -30.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.665 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.519 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -59.98 -26.83 63.77 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.384 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.2 mm -69.61 -43.52 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.688 0.28 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.24 -44.09 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.576 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -57.16 -31.42 65.38 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.48 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.0 mmtt -65.85 -40.68 91.95 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 m-85 -83.11 -35.12 25.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 121.879 0.847 . . . . 0.0 110.988 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.712 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.9 m-30 -64.25 -34.86 79.09 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.042 -1.435 . . . . 0.0 107.537 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 12.8 ptmt -89.69 -21.38 22.76 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.638 -1.164 . . . . 0.0 108.914 177.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 8.4 tp -64.66 -46.85 80.73 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.811 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.453 HD12 ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -86.32 -35.05 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.859 178.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.61 -36.81 77.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -77.43 -31.54 54.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.513 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.83 -30.96 61.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CG ' HD12 ' A' ' 33' ' ' ILE . 2.5 mttp -81.73 -55.95 4.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 -156.75 0.76 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.137 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -170.91 43.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 178.4 137.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.048 0.451 . . . . 0.0 111.077 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.34 164.88 11.68 Favored Glycine 0 C--N 1.324 -0.106 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -81.38 115.97 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.266 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CG ' HG21 ' A' ' 54' ' ' VAL . 5.2 m95 -89.89 130.99 36.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.69 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.7 p -147.07 155.51 42.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 4.5 t80 -138.64 142.55 39.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -107.21 136.17 47.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -96.15 -28.17 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.9 -31.04 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.428 HG23 HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.99 18.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 111.46 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 47.41 75.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 111.252 179.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.1 m -145.12 127.84 16.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.359 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 2.1 m-85 -93.98 141.76 28.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.353 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -143.84 141.63 30.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.51 HG21 ' CG ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 123.8 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.581 178.652 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 m -105.13 144.15 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.131 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 121.317 0.58 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.7 m-30 -104.69 158.19 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.783 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -129.09 134.71 48.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.487 HD23 ' CD1' ' A' ' 30' ' ' PHE . 16.3 tp -119.89 143.83 47.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 111.689 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.0 mm -137.05 116.17 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.256 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 14' ' ' GLU . 1.8 mp -100.81 132.75 46.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.152 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.45 97.99 4.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.847 0.356 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HB3' HD11 ' A' ' 7' ' ' LEU . 1.6 tt0 -141.48 157.11 45.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -121.96 162.25 21.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -163.51 143.16 8.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.822 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.486 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 1.2 pp -141.96 135.09 28.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -138.68 141.8 39.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -112.09 108.19 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.781 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.54 170.9 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.354 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -76.19 -30.81 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.23 -150.09 0.45 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -117.49 -29.54 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 111.311 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.98 -28.48 60.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.832 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.31 -45.16 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.792 0.33 . . . . 0.0 110.991 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -67.01 -49.28 65.79 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.725 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 12.5 pt-20 -52.17 -29.12 20.79 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.8 mmpt? -68.16 -41.39 81.62 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.303 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CD2' ' HE3' ' A' ' 18' ' ' LYS . 2.4 m-85 -82.74 -35.38 26.69 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.831 0.824 . . . . 0.0 111.057 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.762 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 14.5 m-30 -64.78 -34.23 77.85 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.572 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -89.69 -21.37 22.76 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.619 -1.173 . . . . 0.0 108.71 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 23.2 tp -65.43 -46.99 77.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.032 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.431 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -85.42 -33.61 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -57.72 -30.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.003 0.43 . . . . 0.0 110.094 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -37.01 21.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.658 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.58 -31.46 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.461 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.9 mmtt -93.78 -53.52 3.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.71 -177.07 3.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -162.42 40.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.486 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.21 132.19 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.844 0.354 . . . . 0.0 111.341 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.49 160.96 10.04 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' CB ' ' A' ' 55' ' ' THR . 27.8 m -78.67 113.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.021 0.439 . . . . 0.0 110.377 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 5.8 m95 -84.06 131.54 34.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.699 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.2 p -147.07 151.29 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 13.8 t80 -138.58 142.62 39.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.004 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -108.39 136.17 48.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.655 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -94.44 -28.9 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.55 -31.12 45.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.43 HG21 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -140.74 15.11 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.621 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt 48.31 74.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -142.93 129.32 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.048 0.451 . . . . 0.0 111.629 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 2.1 m-85 -97.84 141.39 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.072 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -143.9 139.32 29.14 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.093 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.51 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.6 124.41 69.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.536 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.403 ' CB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -105.2 151.22 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.075 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.943 0.401 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.633 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.2 m-85 -108.95 151.71 25.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -132.26 138.81 48.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.739 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 30' ' ' PHE . 13.7 tp -120.08 143.8 47.93 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.242 0.544 . . . . 0.0 111.913 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -135.3 116.46 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.797 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -106.05 136.14 46.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.468 . . . . 0.0 111.824 -178.216 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.16 115.65 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.622 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.092 0.472 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.77 156.88 21.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.445 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.53 159.72 27.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.093 0.473 . . . . 0.0 111.595 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -164.04 142.92 7.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.516 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 pp -137.76 145.03 29.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.083 0.468 . . . . 0.0 111.52 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.7 mmtt -142.26 121.12 12.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.5 115.33 25.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.177 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.69 177.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.67 -30.46 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.008 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.29 92.72 7.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.09 -40.39 3.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.874 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.94 -24.92 51.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.5 mm -71.5 -40.51 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -66.44 -46.71 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.212 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -56.31 -32.06 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.59 -35.57 81.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.126 178.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.605 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -85.7 -33.74 21.44 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 121.904 0.859 . . . . 0.0 110.997 179.197 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.07 -39.78 90.34 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.52 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -78.64 -21.66 48.04 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.604 176.817 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 3.0 tp -69.07 -47.38 65.44 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.45 ' CD1' ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -84.43 -32.41 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -59.48 -31.04 68.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 110.04 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -84.4 -33.41 23.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.08 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -37.61 56.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.81 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' CG ' ' CD1' ' A' ' 33' ' ' ILE . 5.7 mmtt -93.83 -55.9 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.749 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -91.81 -160.93 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.31 -54.24 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.649 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 169.54 142.73 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.074 0.464 . . . . 0.0 111.235 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.2 -160.66 14.84 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.914 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.62 104.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 110.274 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CG ' HG23 ' A' ' 54' ' ' VAL . 9.3 m95 -81.57 131.67 35.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.69 -178.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -147.13 149.03 32.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.3 t80 -138.4 142.69 39.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.047 0.451 . . . . 0.0 111.098 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.7 136.09 52.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.525 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -90.12 -29.05 18.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.97 -32.29 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.185 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.477 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.57 14.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mttp 47.76 75.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.5 m -144.96 128.42 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 0.0 111.369 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.515 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.5 m-85 -97.14 142.09 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.297 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -143.67 139.47 29.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.115 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.518 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.51 121.77 63.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.517 178.508 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.78 127.3 45.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.202 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.74 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.644 0.259 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.623 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.3 m-85 -109.45 153.51 23.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.252 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.41 139.23 47.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 30' ' ' PHE . 13.8 tp -119.98 144.02 47.72 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.823 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.12 116.48 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.153 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.3 mp -101.55 132.28 47.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.981 0.419 . . . . 0.0 111.475 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.99 104.3 7.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.168 -179.772 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.199 0.523 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -111.56 156.99 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.356 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -120.62 159.15 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.159 0.504 . . . . 0.0 111.861 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -164.07 142.99 7.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.388 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.417 ' O ' ' HD3' ' A' ' 18' ' ' LYS . 1.9 pp -138.38 143.72 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.923 0.392 . . . . 0.0 111.773 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.662 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 28.5 mmtt -142.72 121.62 12.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.307 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.91 120.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.623 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.69 -178.44 7.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.0 p -99.77 -29.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.99 -148.84 0.38 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -135.41 -42.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.77 -25.68 15.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.4 -44.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' CB ' ' CD2' ' A' ' 3' ' ' TYR . . . -64.57 -48.27 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.476 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.9 pt-20 -53.6 -33.95 56.72 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.537 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 6.0 mmpt? -62.69 -36.59 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.58 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.51 -34.63 25.28 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.93 0.872 . . . . 0.0 111.061 179.213 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.662 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.5 m-30 -64.9 -41.9 95.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.898 -1.501 . . . . 0.0 107.933 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -74.83 -21.41 59.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.729 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -63.28 -55.41 24.97 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.452 HG13 ' HG3' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -80.67 -36.94 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.33 -33.76 71.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.035 0.445 . . . . 0.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -77.79 -31.87 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.889 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.13 35.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -88.53 -55.88 3.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.21 -163.55 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.006 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.5 m -120.1 -44.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.405 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -178.8 140.9 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.163 0.506 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.14 -175.81 34.53 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.203 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -78.61 105.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.162 0.506 . . . . 0.0 110.313 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CG ' HG22 ' A' ' 54' ' ' VAL . 7.7 m95 -82.29 133.91 35.26 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.838 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -147.02 153.09 39.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 21.4 t80 -138.59 142.63 39.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 110.967 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -106.44 136.24 46.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.722 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -92.16 -27.22 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.41 -37.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.433 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.416 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.19 20.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER 51.29 78.99 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.069 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.74 124.73 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.022 0.439 . . . . 0.0 111.445 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.5 m-85 -96.04 140.92 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.162 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 m -143.78 141.76 30.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.09 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 143.73 35.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 178.571 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 147.32 52.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.769 0.319 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.613 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -108.04 155.92 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -131.35 134.88 46.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.312 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.529 HD23 ' CD1' ' A' ' 30' ' ' PHE . 16.2 tp -119.99 143.95 47.77 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.25 0.548 . . . . 0.0 111.99 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -139.53 116.29 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.222 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 2.1 mp -99.42 135.74 40.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 0.0 111.352 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -132.13 94.25 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.485 0.183 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.98 157.06 44.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -123.5 160.32 27.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.946 0.403 . . . . 0.0 111.452 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -163.46 142.97 8.44 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.62 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pp -136.58 143.19 36.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.938 0.399 . . . . 0.0 111.553 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.62 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.3 mmtt -143.77 144.24 31.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.426 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.79 108.43 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.916 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.38 159.88 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.235 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.03 -29.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.011 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.32 -150.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -128.16 -38.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.507 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.32 -24.87 17.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.611 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 mm -70.49 -45.15 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.845 0.355 . . . . 0.0 110.736 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . . . -63.91 -45.44 89.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.8 pt-20 -57.34 -31.33 65.61 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.482 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.6 -34.0 77.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.877 178.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.32 -36.24 19.4 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 121.957 0.884 . . . . 0.0 110.805 179.06 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.62 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 21.2 m-30 -63.19 -40.35 97.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.897 -1.502 . . . . 0.0 107.563 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 14.3 ptmt -78.94 -21.54 47.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.49 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 6.1 tp -67.53 -46.18 73.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.685 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.443 ' CD1' ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.99 -34.26 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.742 178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.26 -31.59 69.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.998 0.428 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -85.34 -31.49 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.16 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.8 -32.3 52.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.905 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' CG ' ' CD1' ' A' ' 33' ' ' ILE . 10.3 mmtm -93.78 -55.99 3.05 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -105.32 -161.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.02 -64.4 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 3.0 tm-20 171.18 144.63 0.03 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.04 -157.19 8.09 Favored Glycine 0 CA--C 1.516 0.144 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.769 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.442 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 3.1 m -78.42 104.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 109.924 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CG ' HG23 ' A' ' 54' ' ' VAL . 10.7 m95 -81.84 134.07 35.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.003 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.07 150.27 34.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.543 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 31.5 t80 -138.56 142.64 39.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.232 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -107.17 136.16 47.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.528 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -92.5 -28.1 17.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.024 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -34.82 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.371 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.424 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.01 13.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 33.8 mttm 49.93 78.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 0.0 111.224 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -146.21 128.06 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.3 m-85 -97.34 142.26 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.368 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.7 m -143.67 139.68 29.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.501 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.53 139.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.605 178.564 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.442 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 82.8 m -131.05 151.36 51.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.991 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.324 0.107 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.602 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -109.97 158.49 18.19 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.549 0.531 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -131.72 136.23 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 16.2 tp -119.93 143.75 47.82 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.468 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 mm -137.44 116.5 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.322 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mp -99.18 135.66 40.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -128.76 90.3 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 121.153 0.501 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.16 157.0 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -123.67 161.21 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 111.501 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -167.37 143.06 4.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.484 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 pt -140.23 142.7 30.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.935 0.398 . . . . 0.0 111.49 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.639 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 23.1 mmtt -142.73 141.56 31.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -112.2 108.21 17.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.58 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.02 160.64 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.419 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.1 p -69.41 -29.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -113.41 -151.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -124.54 -36.22 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 111.371 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.524 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.51 -29.22 31.07 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.583 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.3 mm -66.85 -41.49 87.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -66.95 -48.98 66.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.8 pt-20 -51.88 -33.89 38.69 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.664 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 14.8 mttt -63.3 -43.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.878 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.617 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.9 -33.09 57.81 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 121.886 0.851 . . . . 0.0 111.292 179.351 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.6 m-30 -67.62 -42.66 82.0 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.056 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.3 pttt -76.55 -21.04 56.21 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.907 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.617 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -60.96 -55.74 29.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.984 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.449 HD11 ' CG ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -82.63 -35.37 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.962 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -34.24 74.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.923 0.392 . . . . 0.0 110.079 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -77.83 -34.15 52.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.67 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.41 -33.52 63.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.379 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -75.86 -55.81 5.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.369 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.36 -171.3 2.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.517 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 m -153.23 49.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -175.86 130.07 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.87 152.79 6.18 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.765 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.62 110.47 14.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 7.6 m95 -80.37 130.25 35.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.0 156.62 43.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.4 t80 -138.58 142.55 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -106.62 136.2 46.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -92.91 -28.13 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.96 -33.72 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.304 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.477 HG22 HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.81 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 13.5 mttt 49.3 78.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.1 m -146.49 128.28 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.402 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.478 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.4 m-85 -94.96 143.18 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -143.88 142.72 30.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.207 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.522 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 132.9 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.686 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.06 118.13 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.418 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' CG ' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.932 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.912 0.386 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.612 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -108.37 158.08 17.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -131.91 136.6 47.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.509 HD23 ' CD1' ' A' ' 30' ' ' PHE . 14.8 tp -120.07 143.96 47.84 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.797 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mm -137.2 116.37 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.187 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 1.4 mp -100.18 132.35 45.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.923 0.392 . . . . 0.0 111.317 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.69 109.26 10.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.963 0.411 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.53 157.1 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.349 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.7 160.61 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 111.835 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.78 142.92 4.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.419 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.35 143.73 30.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.022 0.439 . . . . 0.0 111.749 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.628 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.5 mmtt -142.73 129.23 20.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.327 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.14 108.37 20.97 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 177.72 8.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 111.067 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.9 p -92.79 -30.08 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -106.08 -149.14 0.42 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -131.06 -40.54 1.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.302 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.537 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.97 -26.48 19.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.632 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.48 -43.06 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 110.805 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . . . -65.71 -44.42 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.571 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -57.63 -32.07 66.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.562 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 29.4 mttm -63.89 -37.68 88.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.847 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -82.96 -36.32 25.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 121.851 0.834 . . . . 0.0 110.854 179.106 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.628 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.0 m-30 -63.35 -41.04 98.83 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.06 -1.427 . . . . 0.0 107.549 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -78.71 -21.43 48.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.387 176.579 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -67.37 -45.5 76.11 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.583 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' LYS . 1.3 tp -87.57 -34.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.718 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -58.95 -31.21 68.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.041 0.448 . . . . 0.0 109.929 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -84.61 -33.45 23.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.896 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.45 -30.23 57.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.757 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.91 -55.89 3.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.757 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.18 -160.57 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.901 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.64 -62.85 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -172.86 -159.43 0.12 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.97 0.414 . . . . 0.0 110.593 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.12 -166.41 28.48 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 3.1 m -78.63 104.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.505 ' CG ' HG23 ' A' ' 54' ' ' VAL . 11.6 m95 -83.8 130.75 34.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.798 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -147.05 154.1 40.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.72 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.435 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 27.0 t80 -138.57 142.62 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.977 0.418 . . . . 0.0 110.986 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -111.36 136.27 50.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.765 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -89.86 -28.1 19.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.7 -32.5 3.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.449 HG23 HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.99 19.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 111.533 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 4.7 mtpp 47.64 76.88 0.1 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.258 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.8 m -145.05 129.15 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.467 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HB3' ' CD1' ' A' ' 5' ' ' LEU . 1.2 m-85 -96.3 143.06 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -143.64 140.79 30.29 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.115 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.48 144.85 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.642 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.407 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.04 149.81 52.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.895 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.848 0.356 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.6 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.3 m-30 -85.36 157.49 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -130.85 134.99 47.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' ' 30' ' ' PHE . 17.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.7 mm -137.94 116.36 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.19 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.9 mp -100.25 133.41 44.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.99 0.424 . . . . 0.0 111.679 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -132.37 96.37 3.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.617 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.708 0.29 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.96 157.04 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.797 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -122.7 162.16 22.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.966 0.413 . . . . 0.0 111.39 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -167.04 142.98 4.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.637 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 pt -138.34 142.33 35.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.947 0.403 . . . . 0.0 111.512 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.637 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 35.8 mmtt -143.14 104.02 4.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.477 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -81.53 108.34 15.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.144 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.62 -174.77 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 p -95.95 -30.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -106.31 -148.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.449 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -133.43 -42.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 111.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.512 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.99 -26.95 20.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.614 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.7 mm -68.54 -41.23 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.792 0.33 . . . . 0.0 110.779 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -68.14 -48.54 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.587 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -52.62 -32.75 43.26 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.576 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 18.5 mttt -63.67 -46.36 85.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.743 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.589 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.8 -33.06 65.99 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 121.916 0.865 . . . . 0.0 111.166 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.92 -39.9 87.49 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.192 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 8.9 ptmt -79.46 -21.23 45.71 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.679 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.589 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -57.5 -57.76 11.24 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.486 HG13 ' HG3' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -79.63 -36.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.555 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -56.75 -35.57 68.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 110.104 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -76.44 -34.91 58.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.585 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.64 -31.05 64.82 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.292 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.486 ' HG3' HG13 ' A' ' 33' ' ' ILE . 10.2 mttm -80.54 -55.83 4.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.203 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.7 t -139.24 -159.13 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.223 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 p -166.69 30.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.722 0.296 . . . . 0.0 111.586 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -156.75 122.49 4.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.3 154.81 7.59 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.858 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 m -78.72 114.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 110.528 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.0 m95 -85.57 131.44 34.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.431 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.3 p -145.73 148.69 33.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 37.6 t80 -138.64 142.81 39.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.398 . . . . 0.0 111.31 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -110.49 136.09 50.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.447 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -89.97 -30.11 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.13 -35.2 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -128.78 0.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 8.1 mttt 54.42 70.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.069 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.6 m -143.95 127.41 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.306 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.1 m-85 -94.57 142.56 27.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.378 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.67 140.68 30.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 130.48 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.629 178.646 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.9 m -122.54 134.44 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.122 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.89 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.476 0.179 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.599 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.7 m-30 -94.93 159.02 15.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -134.83 137.72 43.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.997 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.5 tp -120.15 144.01 47.9 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.155 0.502 . . . . 0.0 111.822 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -135.71 116.58 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.772 176.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 14' ' ' GLU . 4.5 mp -102.87 136.24 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 111.886 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -135.25 71.91 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.514 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.468 0.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.748 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.553 0.216 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -109.04 157.1 19.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.01 159.31 25.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.148 0.499 . . . . 0.0 111.755 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -165.18 143.14 6.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.326 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.61 142.9 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.095 0.474 . . . . 0.0 111.692 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.628 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -143.3 104.84 4.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 108.36 14.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.271 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.66 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -91.93 -29.71 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -101.61 -149.2 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.545 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -138.06 -42.64 0.52 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.04 -28.51 17.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.562 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.78 -40.53 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -67.54 -48.71 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.598 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -52.29 -33.95 44.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.555 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.4 mttt -62.35 -46.51 88.33 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.806 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.586 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -73.41 -33.48 65.0 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.936 0.874 . . . . 0.0 111.227 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.628 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 19.8 m-30 -66.56 -40.73 89.17 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.191 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.28 -21.28 50.01 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.664 176.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -57.92 -56.6 19.91 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.431 HG13 ' HG3' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -81.53 -35.88 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 179.232 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -61.71 -33.17 73.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.92 0.39 . . . . 0.0 110.364 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -78.75 -31.98 46.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.808 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.91 -38.08 54.18 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.679 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -65.64 -55.9 15.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.96 -163.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.532 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 t -142.78 -179.35 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.758 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 63.15 124.41 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.86 0.362 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.0 147.91 4.93 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.77 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -78.66 104.67 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.324 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -79.83 120.21 23.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.283 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.39 156.95 46.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.2 t80 -138.54 142.54 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -108.12 136.11 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -92.04 -28.91 16.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.02 -32.13 32.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -141.04 14.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 1.1 mptt 47.56 77.39 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.7 m -147.3 126.12 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.042 0.449 . . . . 0.0 111.489 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.3 m-85 -93.18 142.83 26.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.926 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 m -143.91 141.64 30.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.231 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 127.32 74.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 178.471 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.04 133.43 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 111.084 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.003 0.43 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.559 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -91.85 153.8 19.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -129.33 134.18 47.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 111.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 16' ' ' ALA . 19.8 tp -120.07 143.88 47.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.373 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mp -140.6 116.21 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.575 177.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.6 mp -97.1 131.44 43.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.428 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.75 126.06 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.563 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' CD2' HG21 ' A' ' 38' ' ' THR . 4.9 mp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.623 0.249 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.79 157.02 46.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.65 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.36 160.47 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.266 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -163.7 142.88 8.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.62 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.455 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 1.5 pp -139.25 139.09 40.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.453 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -141.33 109.21 5.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.318 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.83 116.61 14.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.35 174.1 1.04 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.25 -34.69 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 89.98 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.334 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.26 -32.14 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.02 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.3 -26.48 64.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.459 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 mm -74.16 -39.44 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.617 0.246 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -40.27 78.85 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.302 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -62.88 -32.23 73.43 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.488 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.49 -35.91 82.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.317 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 2.6 m-85 -87.14 -36.12 18.24 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.896 0.855 . . . . 0.0 110.888 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 15.7 m-30 -63.28 -39.25 94.05 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.994 -1.457 . . . . 0.0 107.239 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -83.66 -21.69 32.37 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.783 177.259 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 29' ' ' TYR . 18.4 tp -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.692 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.443 HD13 ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -79.75 -39.19 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 178.606 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.51 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -54.8 -32.12 59.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.051 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -78.74 -32.7 46.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.011 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.62 34.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.939 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' CG ' HD13 ' A' ' 33' ' ' ILE . 3.8 mmtm -93.92 -55.86 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -80.99 -178.59 6.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.075 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -122.33 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.486 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 178.33 140.82 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.079 0.466 . . . . 0.0 110.83 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.36 -177.09 40.89 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.129 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.402 ' CG2' ' CB ' ' A' ' 55' ' ' THR . 16.8 m -78.51 105.71 8.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.069 0.461 . . . . 0.0 110.327 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 6.9 m95 -81.59 134.56 35.51 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.52 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -146.94 153.58 40.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.724 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 t80 -138.77 142.61 38.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.864 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.9 136.37 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.54 -26.1 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -44.35 -53.49 6.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.387 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.432 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.6 25.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.647 0.26 . . . . 0.0 111.118 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.462 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 3.7 mptt 54.92 87.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.264 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -145.02 120.38 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.379 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 2.0 m-85 -94.35 140.57 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.223 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -143.76 141.92 30.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.943 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.521 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 145.45 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.402 ' CB ' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -131.21 128.43 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 121.133 0.492 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.5 m-30 -106.72 152.91 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.034 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.68 135.41 49.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 30' ' ' PHE . 15.6 tp -119.98 144.07 47.69 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 112.075 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.2 mm -135.51 116.11 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -102.43 131.23 49.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.104 0.478 . . . . 0.0 111.752 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.53 108.03 8.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.702 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.3 pt? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.46 0.171 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -116.14 157.07 25.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.749 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.82 162.05 19.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.352 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -159.54 143.06 14.51 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.797 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.488 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 1.4 pp -138.49 134.89 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.568 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.753 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.99 134.05 29.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -106.05 108.76 20.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.338 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.13 178.65 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.507 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.11 -35.32 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.497 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.14 -150.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -115.18 -28.7 6.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.692 0.282 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.528 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.56 -29.91 61.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.826 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.44 -45.81 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.838 0.352 . . . . 0.0 111.302 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -65.86 -45.91 80.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.707 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -54.22 -31.77 54.09 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.732 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 10.7 mtmm -65.1 -42.77 93.72 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.203 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 2.6 m-85 -81.78 -35.65 29.32 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.854 0.835 . . . . 0.0 111.246 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.753 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -66.06 -34.43 78.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.161 -1.381 . . . . 0.0 107.557 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 2.4 ptmt -89.85 -21.45 22.55 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.838 176.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 29' ' ' TYR . 49.8 tp -59.85 -53.1 61.89 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 120.371 -0.531 . . . . 0.0 109.925 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.506 HD13 ' HG3' ' A' ' 37' ' ' LYS . 1.4 tp -82.47 -37.92 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.866 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -57.83 -33.69 68.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.087 0.47 . . . . 0.0 109.992 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -77.64 -31.84 52.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.655 178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.53 -34.01 54.09 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.506 ' HG3' HD13 ' A' ' 33' ' ' ILE . 5.2 mtpm? -71.03 -55.83 7.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.061 0.457 . . . . 0.0 110.258 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -168.12 2.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.446 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 m -153.38 45.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.674 0.273 . . . . 0.0 111.562 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.46 127.95 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.901 0.381 . . . . 0.0 111.199 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.4 157.64 8.51 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.616 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -78.7 110.92 14.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.028 0.442 . . . . 0.0 110.486 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 5.5 m95 -84.33 129.38 34.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.387 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -147.08 154.22 40.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 14.7 t80 -138.52 142.76 39.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.7 136.23 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -95.72 -28.57 14.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -32.52 35.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.62 16.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 49.04 80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.817 0.341 . . . . 0.0 111.163 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 50.2 m -148.08 126.24 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.039 0.447 . . . . 0.0 111.468 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 2.0 m-85 -93.37 142.23 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.31 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.8 m -143.91 137.5 27.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.995 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.47 123.11 66.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.57 140.71 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.394 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.933 0.397 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.608 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.6 m-30 -103.04 151.99 21.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.294 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -131.71 137.27 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.495 HD21 ' CD1' ' A' ' 30' ' ' PHE . 15.4 tp -120.01 143.89 47.81 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.2 0.524 . . . . 0.0 111.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 mm -140.13 116.4 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.352 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.9 mp -96.84 133.35 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.939 0.399 . . . . 0.0 111.164 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -136.03 84.06 2.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.124 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 N--CA 1.467 0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.804 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pttp . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 121.278 0.561 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.96 157.07 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.691 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.3 162.21 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.473 . . . . 0.0 111.543 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.72 143.01 4.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.305 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.5 pt -138.66 143.99 30.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 0.0 111.677 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.657 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 10.9 mmtt -144.24 121.34 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.193 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.08 113.51 25.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.31 175.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.303 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.48 -31.15 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.82 90.24 5.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.446 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.494 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -44.42 -39.22 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.767 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.99 -25.87 57.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.439 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.9 mm -71.45 -39.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.698 0.285 . . . . 0.0 110.712 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -67.02 -46.15 75.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.7 pt-20 -57.03 -31.34 65.05 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.8 -39.41 93.54 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.072 178.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.423 ' CB ' ' HD2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -81.42 -37.09 28.64 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-O 121.958 0.885 . . . . 0.0 110.688 179.195 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.657 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 18.3 m-30 -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.985 -1.461 . . . . 0.0 107.307 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 3.4 ptmm? -80.17 -21.55 42.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.788 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.2 tp -65.56 -47.82 74.5 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 120.466 -0.494 . . . . 0.0 109.756 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.506 HG13 ' HG3' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -86.98 -35.09 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.759 178.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -37.52 83.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -74.61 -33.94 62.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.569 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.04 -23.97 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.76 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.506 ' HG3' HG13 ' A' ' 33' ' ' ILE . 12.0 mttm -87.26 -56.05 3.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.061 0.458 . . . . 0.0 110.739 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 39' ' ' VAL . 8.6 t -115.23 -158.88 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.917 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' N ' ' OG1' ' A' ' 38' ' ' THR . 12.1 p -104.36 -51.25 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER 165.59 148.37 0.02 OUTLIER 'General case' 0 C--O 1.231 0.105 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.86 -162.69 11.4 Favored Glycine 0 CA--C 1.517 0.215 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.676 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.42 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 31.4 m -78.56 104.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.134 0.492 . . . . 0.0 110.016 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CG ' HG23 ' A' ' 54' ' ' VAL . 9.9 m95 -83.24 132.86 35.03 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.132 -178.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.9 p -147.17 151.74 37.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.59 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.9 t80 -138.61 142.57 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -108.38 136.18 48.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.601 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.85 -28.93 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -34.05 27.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.482 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.48 HD13 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.49 13.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.651 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 9.8 mttt 47.85 75.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.293 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 m -145.2 126.63 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 111.191 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.506 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.4 m-85 -93.25 142.52 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 m -143.68 140.58 30.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.957 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.44 145.55 30.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.551 178.574 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.42 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.97 150.15 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.343 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.834 0.349 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 m -65.91 102.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.537 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 4.4 m-30 -84.67 161.14 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -134.84 134.1 40.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.509 HD22 ' CD1' ' A' ' 30' ' ' PHE . 18.6 tp -119.89 143.99 47.65 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.233 0.539 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 mm -139.15 116.16 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.221 176.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -100.94 130.54 46.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 110.914 -178.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.9 136.85 54.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.173 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.3 mp -128.89 -51.36 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.711 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.26 -59.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.719 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -128.08 -67.18 0.82 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.2 138.97 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -121.23 132.5 54.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -98.28 157.13 16.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.727 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -125.55 161.97 25.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.012 0.434 . . . . 0.0 111.6 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -163.17 143.0 8.86 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.459 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -136.51 141.79 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.959 0.409 . . . . 0.0 111.515 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.9 mmtt -144.41 121.06 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.327 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.81 111.47 23.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.219 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.61 143.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.14 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.17 -32.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.938 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -77.36 86.97 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.554 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -45.17 -39.47 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.559 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.474 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.24 -25.61 54.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.396 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.0 mm -71.25 -40.61 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.726 0.298 . . . . 0.0 110.73 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' HB1' ' CZ ' ' A' ' 30' ' ' PHE . . . -65.06 -47.96 75.48 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.098 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -54.8 -34.87 63.24 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.3 mmtt -61.25 -36.73 80.78 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.163 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -83.95 -35.74 23.77 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.947 0.879 . . . . 0.0 110.918 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 21.8 m-30 -63.75 -39.28 93.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.013 -1.449 . . . . 0.0 107.588 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 6.4 ptpt -81.37 -21.53 38.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.655 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 8.6 tp -66.18 -46.23 78.09 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.447 ' CD1' ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.76 -32.6 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.742 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -60.69 -32.0 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.071 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -84.09 -32.24 24.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.013 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.02 -39.39 50.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.71 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' CG ' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.85 -56.0 3.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.82 -165.68 1.26 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -128.91 -51.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.631 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 175.25 139.75 0.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.119 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.66 -168.89 30.47 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.048 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 30.9 m -78.66 107.86 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 0.0 110.497 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.0 m95 -83.47 133.27 34.91 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.508 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 p -146.96 150.17 34.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.668 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.528 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 29.4 t80 -138.53 142.54 39.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 136.09 48.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.603 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -92.52 -28.69 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -32.41 37.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.456 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.24 15.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.942 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 47.98 77.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 111.236 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.8 m -143.17 127.66 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 111.379 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.528 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.8 m-85 -97.94 141.19 31.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.04 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -143.78 139.93 29.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.073 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.502 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 144.18 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 178.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.411 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.19 129.51 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.07 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.881 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.758 0.313 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.82 119.63 30.37 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.627 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -88.9 155.66 19.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -131.53 133.0 44.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD21 ' CD1' ' A' ' 30' ' ' PHE . 19.5 tp -119.93 143.94 47.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.311 0.577 . . . . 0.0 112.031 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.4 mm -138.62 116.37 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.907 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 1.1 mp -102.35 130.38 49.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.076 0.465 . . . . 0.0 111.507 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.26 110.55 11.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -106.12 -27.83 10.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.39 -78.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.817 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -114.88 -35.04 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.798 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.53 139.92 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.972 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 135.93 53.62 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -124.16 157.29 35.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -123.27 162.42 22.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.37 143.11 4.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.945 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.3 pt -137.54 142.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.425 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.601 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 34.4 mmtt -143.6 104.06 4.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.614 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.76 112.4 8.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.56 172.4 1.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.062 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.2 p -102.65 -43.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -66.43 88.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.34 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.473 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.58 -30.81 0.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.977 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.457 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.87 -27.97 71.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.514 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.1 mm -71.16 -40.23 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -66.63 -46.78 74.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -56.08 -31.45 63.23 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -64.4 -39.74 94.43 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -81.63 -37.67 27.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 122.03 0.919 . . . . 0.0 110.782 179.253 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.627 ' HZ ' ' HB3' ' A' ' 3' ' ' TYR . 19.7 m-30 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.455 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 12.3 ptpt -80.14 -21.52 43.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.429 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 13.1 tp -67.32 -44.17 79.8 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.455 ' CD1' ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.92 -33.53 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -59.88 -28.51 67.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.013 0.435 . . . . 0.0 110.149 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.66 -32.46 18.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.098 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.57 57.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' CG ' ' CD1' ' A' ' 33' ' ' ILE . 10.1 mmtp -93.84 -55.86 3.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -164.14 1.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -61.58 2.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.8 156.15 0.05 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.358 0.599 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.7 -155.84 10.83 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.866 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 3.0 m -78.59 104.6 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 110.146 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CG ' HG23 ' A' ' 54' ' ' VAL . 11.2 m95 -82.81 132.23 35.17 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.813 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -146.97 150.35 34.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.657 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.0 t80 -138.61 142.71 39.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.0 111.345 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -107.51 136.15 47.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -92.62 -28.68 16.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.044 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -34.66 55.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.422 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.29 12.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 49.9 78.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 111.265 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 62.3 m -147.14 127.07 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.3 m-85 -96.41 142.94 27.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.75 138.11 28.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.084 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.503 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 143.67 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.55 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.428 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.02 150.37 52.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.857 179.644 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.341 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.871 0.367 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.0 m -71.82 119.07 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.566 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.5 m-30 -101.26 152.95 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -130.4 135.6 48.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.095 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 30' ' ' PHE . 17.3 tp -119.86 143.77 47.73 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.186 0.517 . . . . 0.0 111.656 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.8 mm -137.78 116.41 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.226 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.4 mp -100.51 132.05 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.995 0.426 . . . . 0.0 111.4 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.81 106.82 8.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -114.87 -21.07 10.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.86 -77.77 0.06 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -131.48 -60.73 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.88 122.2 12.36 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 128.86 45.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HB3' HD13 ' A' ' 7' ' ' LEU . 47.4 tp10 -101.04 157.0 17.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.35 162.25 23.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.072 0.463 . . . . 0.0 111.69 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 143.04 6.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.437 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.5 pt -137.99 141.96 37.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.945 0.402 . . . . 0.0 111.616 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.65 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 5.7 mmtt -144.15 123.3 12.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.331 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.21 113.0 24.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.32 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.88 141.51 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.99 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.33 -32.24 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.197 0.523 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.4 88.72 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.496 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -44.14 -33.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.715 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.493 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -58.39 -28.82 62.53 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.286 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.75 -39.83 80.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.647 0.261 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.93 -46.79 73.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.286 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.0 pt-20 -54.92 -33.52 62.25 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.605 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 14.7 mtmt -61.98 -45.29 94.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.972 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -75.78 -35.93 59.95 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.855 0.836 . . . . 0.0 111.203 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.65 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 18.7 m-30 -63.59 -40.65 97.49 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.106 -1.406 . . . . 0.0 107.626 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 8.8 ptpt -80.82 -21.61 40.69 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.528 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.2 tp -67.51 -45.19 76.52 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.458 ' CD1' ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -86.82 -31.41 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -59.79 -31.04 69.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.113 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -32.67 20.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.036 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.89 -38.63 61.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.825 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' CG ' ' CD1' ' A' ' 33' ' ' ILE . 7.0 mmmt -93.98 -55.88 3.06 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -169.14 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.458 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.76 -63.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.627 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 1.1 tt0 172.14 143.46 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.999 0.428 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -161.84 -157.1 8.69 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.062 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.9 m -78.55 104.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.055 0.455 . . . . 0.0 110.451 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.4 m95 -81.91 132.5 35.27 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -146.94 148.32 31.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.7 t80 -138.52 142.62 39.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.969 0.414 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.2 136.44 52.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.813 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -86.1 -26.39 25.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -42.55 -41.31 2.96 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.526 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.6 22.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 7.7 mptt 51.48 80.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.36 128.57 20.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 111.456 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.8 m-85 -102.46 140.33 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.045 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -143.91 141.18 30.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.171 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 144.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 178.518 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.92 151.88 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.819 0.342 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 m -73.26 118.46 16.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.7 m-30 -100.13 160.05 14.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.73 136.71 44.81 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' ALA . 16.3 tp -120.19 143.82 48.04 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.918 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.6 mm -137.28 116.42 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.987 176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.2 mp -105.76 135.79 46.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.255 0.55 . . . . 0.0 111.94 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.99 108.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.393 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -108.34 -27.81 9.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -176.19 -80.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.987 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -126.24 25.41 6.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.237 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.94 112.56 12.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.315 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -97.67 122.14 40.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.945 0.402 . . . . 0.0 110.496 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.41 156.97 27.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 162.31 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -166.89 143.02 4.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.032 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.2 pt -137.31 142.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.643 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 19.6 mmtt -143.44 136.87 28.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.578 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.79 108.49 19.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.771 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.09 170.17 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.398 . . . . 0.0 111.382 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -80.55 -30.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -110.25 -149.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -128.24 -38.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.249 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.519 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.94 -24.87 21.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.7 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.84 -44.47 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -63.96 -45.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.464 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.2 pt-20 -56.8 -32.9 66.16 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.529 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -63.29 -34.32 77.44 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.923 178.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.546 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.03 -36.07 19.95 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-O 121.994 0.902 . . . . 0.0 110.798 178.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.643 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.8 m-30 -63.01 -39.9 96.17 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 113.966 -1.47 . . . . 0.0 107.583 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.4 ptmt -80.66 -21.43 41.41 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.656 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.0 tp -66.99 -45.15 78.49 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.93 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.439 HD13 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -89.17 -35.32 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.753 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.68 -30.35 68.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.065 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -87.77 -31.92 19.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 -28.24 57.08 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.787 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' CG ' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -90.86 -48.6 6.92 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.489 179.588 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.6 p -151.6 -150.83 0.36 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.495 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 p -173.0 178.56 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 121.33 -0.148 . . . . 0.0 110.992 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 62.6 136.16 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.169 0.509 . . . . 0.0 111.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.16 157.19 7.05 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.787 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.4 m -78.67 105.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.167 0.508 . . . . 0.0 110.301 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.2 m95 -80.26 124.69 29.04 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.515 -178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 p -146.94 160.73 41.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.776 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 18.6 t80 -138.49 137.83 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -102.5 136.2 42.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -90.91 -26.55 19.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -45.71 -32.66 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.34 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.465 HG21 HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -152.32 22.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 111.676 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 5.1 mttp 49.28 78.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.0 m -145.9 123.12 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.426 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.45 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 1.4 m-85 -89.95 142.24 27.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.918 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -143.81 142.02 30.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.231 -0.441 . . . . 0.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.488 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.42 123.38 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.28 178.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.83 140.92 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.11 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.425 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.735 0.302 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m -91.33 126.85 36.55 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.789 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.639 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.2 m-30 -110.9 154.98 23.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -131.62 138.54 48.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD23 ' CD1' ' A' ' 30' ' ' PHE . 13.7 tp -120.19 144.01 47.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.646 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.93 116.25 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.235 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.7 mp -98.99 132.16 44.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.075 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.81 103.25 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.84 -172.21 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.59 66.26 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.671 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -172.26 -76.26 0.01 OUTLIER 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.824 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.01 -167.75 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.8 144.88 32.8 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -126.35 157.12 39.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.559 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -121.22 159.82 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.757 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -164.56 142.96 6.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.5 pt -138.58 143.75 31.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.961 0.41 . . . . 0.0 111.632 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.661 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.3 mmtt -141.36 123.63 15.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.408 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 108.61 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.703 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.01 163.18 39.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.57 -29.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.527 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -97.22 -146.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.448 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -139.52 -43.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.507 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.15 -25.21 17.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.12 -43.2 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.845 0.355 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -65.28 -47.41 76.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.417 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -54.77 -33.19 61.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 2.7 mmtt -63.15 -36.52 83.9 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.001 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.72 -34.68 24.85 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.957 0.884 . . . . 0.0 110.976 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.661 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.3 m-30 -64.82 -41.35 95.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.007 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 20.6 ptmt -76.24 -21.4 56.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.799 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -61.12 -56.78 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.001 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.465 HG13 ' HG3' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -80.35 -36.38 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.716 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -58.79 -38.1 77.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.905 0.383 . . . . 0.0 110.159 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.607 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.9 -28.56 58.13 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.509 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -82.4 -55.98 4.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.627 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.3 p -112.3 -164.55 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.783 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.47 16.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 168.67 153.19 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.293 0.568 . . . . 0.0 110.93 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 164.4 13.48 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.374 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' CB ' ' A' ' 55' ' ' THR . 27.6 m -78.7 115.64 21.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.943 0.402 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CG ' HG23 ' A' ' 54' ' ' VAL . 6.5 m95 -91.57 133.33 35.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.619 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -147.14 154.37 41.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 20.2 t80 -138.53 142.49 39.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.824 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -109.53 136.11 49.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -91.98 -28.45 17.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.49 -29.08 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.42 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.67 17.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.77 72.4 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.191 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -143.24 133.01 23.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 0.0 111.376 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.3 m-85 -97.82 143.46 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.35 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.4 m -143.6 141.76 30.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.905 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.514 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.42 145.59 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.792 178.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.403 ' CB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -129.29 145.26 51.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.977 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.958 0.408 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.09 118.36 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.5 m-30 -101.94 151.8 21.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -127.95 135.22 49.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.474 HD22 ' CD1' ' A' ' 30' ' ' PHE . 14.7 tp -120.2 143.82 48.04 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.374 0.607 . . . . 0.0 112.023 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.5 mm -137.1 116.21 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.914 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mp -100.57 132.55 45.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 111.701 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.25 106.52 7.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.716 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -109.24 26.56 10.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.65 34.78 7.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -150.55 -76.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.748 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.13 175.39 5.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.21 128.16 53.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -117.35 157.06 26.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.71 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -126.47 162.32 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.254 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.45 143.05 4.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.943 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.484 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 3.4 pt -142.29 134.06 26.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.142 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.758 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.78 131.99 26.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.938 0.399 . . . . 0.0 111.22 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.49 108.52 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.84 169.12 17.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.91 -30.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.047 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.05 -151.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -120.88 -32.91 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 111.351 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.523 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -54.56 -29.67 48.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.727 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.86 -44.81 92.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.9 0.381 . . . . 0.0 111.345 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -66.34 -45.82 78.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.769 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -54.27 -31.45 53.74 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 10.4 mtmt -64.6 -45.01 88.76 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.11 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.491 ' CD2' ' HE3' ' A' ' 18' ' ' LYS . 2.2 m-85 -79.73 -36.03 38.0 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.851 0.834 . . . . 0.0 111.28 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.758 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -64.8 -34.22 77.84 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.148 -1.387 . . . . 0.0 107.831 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 15.2 ptpt -89.69 -21.38 22.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.667 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.5 tp -63.92 -46.5 84.49 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.945 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.406 HD13 ' CG ' ' A' ' 37' ' ' LYS . 1.4 tp -86.87 -36.62 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.95 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 30' ' ' PHE . . . -60.61 -31.75 70.91 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 110.222 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.75 -31.77 25.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.963 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.0 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.642 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' CG ' HD13 ' A' ' 33' ' ' ILE . 7.1 mmtt -55.47 -55.8 27.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.06 -155.97 0.68 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.653 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 p -166.24 -179.53 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 62.92 127.21 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.78 158.67 8.39 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.553 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 3.2 m -78.71 104.71 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.004 0.43 . . . . 0.0 110.645 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 4.9 m95 -78.89 127.77 32.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.103 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -146.82 155.35 42.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.531 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 18.3 t80 -138.61 142.69 39.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.953 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -104.97 136.17 44.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.654 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.1 -28.29 15.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.6 -35.04 53.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.426 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.2 14.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 50.72 80.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.0 m -148.13 126.34 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 111.484 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.9 m-85 -93.51 142.39 27.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.165 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 m -143.89 138.15 28.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.089 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.63 125.19 70.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 178.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.412 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -108.24 139.48 42.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.269 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.769 0.319 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.0 t -72.51 119.99 17.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.574 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.3 m-30 -103.74 154.42 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -131.44 135.29 47.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.493 HD22 ' CD1' ' A' ' 30' ' ' PHE . 15.9 tp -119.98 143.83 47.82 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 111.812 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mm -137.96 116.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.154 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.3 mp -101.68 135.49 43.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.769 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.16 105.57 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.665 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -113.29 -23.26 10.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -157.11 -79.22 0.08 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -130.0 -61.21 1.0 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.938 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.37 126.72 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.039 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 135.97 39.0 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.715 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -104.02 157.06 17.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.492 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -122.97 161.6 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.016 0.436 . . . . 0.0 111.56 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.81 142.87 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.474 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pp -137.98 142.53 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 0.0 111.606 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.635 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -144.01 136.85 27.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.218 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.41 116.07 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.75 148.78 0.56 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -73.45 -30.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -86.7 91.03 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.585 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -44.36 -34.51 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.662 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.87 -26.74 55.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.12 -38.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.68 0.276 . . . . 0.0 110.688 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -67.46 -45.37 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.338 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.9 pt-20 -56.56 -33.2 65.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.588 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 7.4 mtmm -63.07 -43.19 99.26 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.127 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.543 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -77.6 -34.88 53.34 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-O 121.874 0.845 . . . . 0.0 111.098 179.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.635 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 18.5 m-30 -64.65 -38.48 91.15 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.731 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -84.8 -21.36 29.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.766 -1.106 . . . . 0.0 108.661 176.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 6.2 tp -65.98 -45.25 82.34 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.429 HD12 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.86 -34.94 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.775 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -57.96 -30.68 66.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 110.079 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.66 -33.03 18.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.948 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.93 -27.12 60.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.802 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' CG ' HD12 ' A' ' 33' ' ' ILE . 4.0 mmtm -92.94 -50.87 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.671 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 t -148.72 -151.68 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 p -172.92 179.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.024 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 62.61 135.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.206 0.527 . . . . 0.0 111.308 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.21 156.3 6.75 Favored Glycine 0 C--N 1.323 -0.157 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.74 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 m -78.73 105.44 7.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.046 0.45 . . . . 0.0 110.259 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CG ' HG21 ' A' ' 54' ' ' VAL . 7.3 m95 -78.56 125.11 28.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.374 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -146.94 157.54 43.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 8.6 t80 -138.5 124.53 20.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -99.64 136.33 39.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 49' ' ' ILE . 11.5 t0 -62.56 -99.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.35 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 50.49 -81.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.56 ' N ' ' O ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -134.93 29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.163 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.33 93.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.4 m -149.97 132.85 16.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.284 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.463 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 1.7 m-85 -104.05 143.2 33.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.48 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.8 m -143.89 140.85 29.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.055 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG21 ' CG ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.37 123.17 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.294 178.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.51 130.36 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.858 0.361 . . . . 0.0 111.349 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.77 123.11 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -103.09 151.47 22.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.084 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -131.87 135.98 47.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 18.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.244 0.545 . . . . 0.0 112.009 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.7 mm -139.36 116.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.056 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 14' ' ' GLU . 4.6 mp -103.79 141.61 35.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.011 0.434 . . . . 0.0 111.75 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.94 106.75 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.767 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -112.4 -37.22 5.04 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.158 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 177.15 94.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.934 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.09 19.95 2.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.68 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.43 113.91 13.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.804 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -103.25 126.36 50.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.187 0.518 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 5.1 tp10 -114.33 144.18 43.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.281 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -109.0 160.06 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 111.516 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.77 142.86 4.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.465 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 pt -141.74 141.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.657 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.4 mmtt -142.91 105.66 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.283 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.95 122.54 25.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.03 160.46 8.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.43 -28.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.97 -146.03 0.11 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -152.76 -44.69 0.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -53.61 -24.33 24.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.269 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.4 mm -70.05 -42.75 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.745 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.68 -47.88 73.98 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.396 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -53.91 -35.53 61.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.31 -40.58 91.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.166 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.447 ' CB ' ' HD2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -79.59 -39.41 31.76 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-O 122.02 0.914 . . . . 0.0 110.975 179.315 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.657 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.1 m-30 -60.48 -40.49 91.46 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.729 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 6.3 ptpt -82.0 -21.48 37.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.614 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD21 ' CD1' ' A' ' 29' ' ' TYR . 24.1 tp -61.95 -46.49 89.06 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.092 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.43 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.1 tp -90.26 -35.59 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.765 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -61.26 -28.25 69.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.31 -31.7 18.82 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.831 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.27 -30.35 54.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.729 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.5 mmmt -91.27 -46.59 7.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.1 -160.47 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.396 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -178.3 35.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.579 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -149.88 118.0 6.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.9 158.61 9.15 Favored Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.905 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.4 m -78.63 107.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.265 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -78.57 128.19 33.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.444 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -146.88 150.48 35.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.3 t80 -138.53 142.58 39.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -110.97 136.2 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.614 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.27 -28.97 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.984 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.16 -34.96 59.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -135.1 8.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER 50.64 76.13 0.16 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.353 . . . . 0.0 111.246 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.7 m -146.25 125.42 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 111.524 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.519 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.9 m-85 -94.58 141.27 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.914 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -144.04 140.31 29.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.55 137.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.181 178.126 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.31 128.01 43.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.979 0.419 . . . . 0.0 111.316 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.786 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.739 0.304 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -74.91 117.53 16.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.013 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 4.1 m-30 -99.36 154.35 18.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.16 136.22 50.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 30' ' ' PHE . 16.2 tp -120.06 143.88 47.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 111.675 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.8 mm -138.52 116.26 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.357 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.8 mp -97.27 131.09 44.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.976 0.417 . . . . 0.0 111.016 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.27 92.94 3.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 10' ' ' LYS . 2.2 pt? -111.59 -163.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.457 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -91.17 41.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.016 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -141.71 -72.87 0.33 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.86 -165.85 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.208 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.33 144.98 36.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.331 0.586 . . . . 0.0 110.471 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -132.91 157.06 46.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.643 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.86 162.31 24.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.501 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 142.98 5.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.626 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.494 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -140.41 136.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.712 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.58 138.94 31.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.848 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -105.32 119.21 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.21 135.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.199 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.55 -30.31 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.01 91.97 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.559 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.83 -30.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.665 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.519 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -59.98 -26.83 63.77 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.384 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.2 mm -69.61 -43.52 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.688 0.28 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.24 -44.09 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.576 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -57.16 -31.42 65.38 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.48 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.0 mmtt -65.85 -40.68 91.95 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 m-85 -83.11 -35.12 25.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 121.879 0.847 . . . . 0.0 110.988 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.712 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.9 m-30 -64.25 -34.86 79.09 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.042 -1.435 . . . . 0.0 107.537 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 12.8 ptmt -89.69 -21.38 22.76 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.638 -1.164 . . . . 0.0 108.914 177.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 8.4 tp -64.66 -46.85 80.73 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.811 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.453 HD12 ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -86.32 -35.05 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.859 178.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.61 -36.81 77.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -77.43 -31.54 54.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.513 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.83 -30.96 61.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CG ' HD12 ' A' ' 33' ' ' ILE . 2.5 mttp -81.73 -55.95 4.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 -156.75 0.76 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.137 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -170.91 43.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 178.4 137.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.048 0.451 . . . . 0.0 111.077 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.34 164.88 11.68 Favored Glycine 0 C--N 1.324 -0.106 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -81.38 115.97 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.266 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CG ' HG21 ' A' ' 54' ' ' VAL . 5.2 m95 -89.89 130.99 36.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.69 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.7 p -147.07 155.51 42.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 4.5 t80 -138.64 142.55 39.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -107.21 136.17 47.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -96.15 -28.17 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.9 -31.04 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.428 HG23 HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.99 18.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 111.46 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 47.41 75.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 111.252 179.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.1 m -145.12 127.84 16.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.359 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 2.1 m-85 -93.98 141.76 28.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.353 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -143.84 141.63 30.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.51 HG21 ' CG ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 123.8 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.581 178.652 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 m -105.13 144.15 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.131 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.733 0.301 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 m -86.85 130.84 34.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.317 0.58 . . . . 0.0 110.981 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.7 m-30 -104.69 158.19 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.783 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -129.09 134.71 48.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.487 HD23 ' CD1' ' A' ' 30' ' ' PHE . 16.3 tp -119.89 143.83 47.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 111.689 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.0 mm -137.05 116.17 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.256 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 14' ' ' GLU . 1.8 mp -100.81 132.75 46.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.152 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.45 97.99 4.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -123.16 172.81 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.353 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' N ' HD11 ' A' ' 9' ' ' LEU . 4.1 mmtt -67.61 72.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.996 0.427 . . . . 0.0 110.905 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HB2' HD12 ' A' ' 9' ' ' LEU . 2.8 mt-30 -177.68 -76.55 0.01 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.65 -176.96 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.687 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.42 153.21 23.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.761 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HB3' HD11 ' A' ' 7' ' ' LEU . 1.6 tt0 -141.48 157.11 45.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -121.96 162.25 21.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -163.51 143.16 8.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.822 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.486 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 1.2 pp -141.96 135.09 28.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -138.68 141.8 39.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -112.09 108.19 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.781 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.54 170.9 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.354 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -76.19 -30.81 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.23 -150.09 0.45 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -117.49 -29.54 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 111.311 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.98 -28.48 60.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.832 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.31 -45.16 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.792 0.33 . . . . 0.0 110.991 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -67.01 -49.28 65.79 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.725 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 12.5 pt-20 -52.17 -29.12 20.79 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.8 mmpt? -68.16 -41.39 81.62 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.303 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.5 ' CD2' ' HE3' ' A' ' 18' ' ' LYS . 2.4 m-85 -82.74 -35.38 26.69 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.831 0.824 . . . . 0.0 111.057 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.762 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 14.5 m-30 -64.78 -34.23 77.85 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.572 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -89.69 -21.37 22.76 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.619 -1.173 . . . . 0.0 108.71 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 23.2 tp -65.43 -46.99 77.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.032 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.431 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -85.42 -33.61 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -57.72 -30.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.003 0.43 . . . . 0.0 110.094 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -37.01 21.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.658 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.58 -31.46 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.461 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.9 mmtt -93.78 -53.52 3.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.71 -177.07 3.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -162.42 40.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.486 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.21 132.19 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.844 0.354 . . . . 0.0 111.341 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.49 160.96 10.04 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' CB ' ' A' ' 55' ' ' THR . 27.8 m -78.67 113.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.021 0.439 . . . . 0.0 110.377 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 5.8 m95 -84.06 131.54 34.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.699 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.2 p -147.07 151.29 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 13.8 t80 -138.58 142.62 39.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.004 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -108.39 136.17 48.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.655 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -94.44 -28.9 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.55 -31.12 45.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.43 HG21 HD12 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -140.74 15.11 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.621 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt 48.31 74.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -142.93 129.32 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.048 0.451 . . . . 0.0 111.629 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 2.1 m-85 -97.84 141.39 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.072 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 m -143.9 139.32 29.14 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.093 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.51 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.6 124.41 69.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.536 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.403 ' CB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -105.2 151.22 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.075 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.5 t -94.93 121.88 37.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.769 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.633 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.2 m-85 -108.95 151.71 25.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -132.26 138.81 48.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.739 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 30' ' ' PHE . 13.7 tp -120.08 143.8 47.93 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.242 0.544 . . . . 0.0 111.913 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.3 mp -135.3 116.46 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.797 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -106.05 136.14 46.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.468 . . . . 0.0 111.824 -178.216 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.16 115.65 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.622 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -123.36 -39.26 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -175.15 95.2 0.07 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.74 0.305 . . . . 0.0 111.222 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 51.22 22.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.721 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.45 113.28 12.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -103.93 121.98 44.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.092 0.472 . . . . 0.0 110.684 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.77 156.88 21.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.445 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.53 159.72 27.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.093 0.473 . . . . 0.0 111.595 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -164.04 142.92 7.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.516 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 pp -137.76 145.03 29.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.083 0.468 . . . . 0.0 111.52 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.7 mmtt -142.26 121.12 12.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.5 115.33 25.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.177 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.69 177.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.67 -30.46 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.008 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.29 92.72 7.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.09 -40.39 3.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.874 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.94 -24.92 51.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.5 mm -71.5 -40.51 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -66.44 -46.71 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.212 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -56.31 -32.06 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.59 -35.57 81.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.126 178.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.605 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -85.7 -33.74 21.44 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 121.904 0.859 . . . . 0.0 110.997 179.197 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.07 -39.78 90.34 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.52 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -78.64 -21.66 48.04 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.604 176.817 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 3.0 tp -69.07 -47.38 65.44 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.45 ' CD1' ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -84.43 -32.41 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -59.48 -31.04 68.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 110.04 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -84.4 -33.41 23.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.08 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -37.61 56.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.81 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' CG ' ' CD1' ' A' ' 33' ' ' ILE . 5.7 mmtt -93.83 -55.9 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.749 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -91.81 -160.93 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 m -127.31 -54.24 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.649 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 169.54 142.73 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.074 0.464 . . . . 0.0 111.235 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.2 -160.66 14.84 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.914 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 m -78.62 104.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 110.274 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CG ' HG23 ' A' ' 54' ' ' VAL . 9.3 m95 -81.57 131.67 35.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.69 -178.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -147.13 149.03 32.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.3 t80 -138.4 142.69 39.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.047 0.451 . . . . 0.0 111.098 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.7 136.09 52.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.525 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -90.12 -29.05 18.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.97 -32.29 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.185 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.477 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.57 14.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mttp 47.76 75.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.5 m -144.96 128.42 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 0.0 111.369 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.515 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.5 m-85 -97.14 142.09 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.297 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -143.67 139.47 29.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.115 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.518 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.51 121.77 63.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.517 178.508 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.78 127.3 45.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.202 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.74 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.619 0.247 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m -129.14 123.31 31.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.623 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.3 m-85 -109.45 153.51 23.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.252 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.41 139.23 47.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.478 HD21 ' CD1' ' A' ' 30' ' ' PHE . 13.8 tp -119.98 144.02 47.72 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.823 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.12 116.48 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.153 176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.3 mp -101.55 132.28 47.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.981 0.419 . . . . 0.0 111.475 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.99 104.3 7.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -112.39 -37.13 5.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.168 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 178.95 97.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.863 0.364 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.37 22.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.681 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -134.21 113.9 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 122.19 45.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.684 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -111.56 156.99 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.356 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -120.62 159.15 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.159 0.504 . . . . 0.0 111.861 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -164.07 142.99 7.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.388 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.417 ' O ' ' HD3' ' A' ' 18' ' ' LYS . 1.9 pp -138.38 143.72 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.923 0.392 . . . . 0.0 111.773 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.662 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 28.5 mmtt -142.72 121.62 12.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.307 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.91 120.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.623 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.69 -178.44 7.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.0 p -99.77 -29.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.99 -148.84 0.38 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -135.41 -42.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.77 -25.68 15.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.4 -44.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' CB ' ' CD2' ' A' ' 3' ' ' TYR . . . -64.57 -48.27 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.476 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.9 pt-20 -53.6 -33.95 56.72 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.537 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' CD1' ' A' ' 32' ' ' LEU . 6.0 mmpt? -62.69 -36.59 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.58 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.51 -34.63 25.28 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.93 0.872 . . . . 0.0 111.061 179.213 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.662 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.5 m-30 -64.9 -41.9 95.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.898 -1.501 . . . . 0.0 107.933 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -74.83 -21.41 59.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.729 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -63.28 -55.41 24.97 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.452 HG13 ' HG3' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -80.67 -36.94 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.33 -33.76 71.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.035 0.445 . . . . 0.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -77.79 -31.87 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.889 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.13 35.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -88.53 -55.88 3.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.21 -163.55 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.006 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.5 m -120.1 -44.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.405 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -178.8 140.9 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.163 0.506 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.14 -175.81 34.53 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.203 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -78.61 105.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.162 0.506 . . . . 0.0 110.313 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CG ' HG22 ' A' ' 54' ' ' VAL . 7.7 m95 -82.29 133.91 35.26 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.838 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -147.02 153.09 39.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 21.4 t80 -138.59 142.63 39.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 110.967 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -106.44 136.24 46.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.722 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -92.16 -27.22 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.41 -37.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.433 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.416 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.19 20.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER 51.29 78.99 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.069 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.74 124.73 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.022 0.439 . . . . 0.0 111.445 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.5 m-85 -96.04 140.92 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.162 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 m -143.78 141.76 30.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.09 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 143.73 35.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 178.571 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.95 147.32 52.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.783 0.325 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -79.88 128.42 33.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.613 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -108.04 155.92 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -131.35 134.88 46.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.312 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.529 HD23 ' CD1' ' A' ' 30' ' ' PHE . 16.2 tp -119.99 143.95 47.77 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.25 0.548 . . . . 0.0 111.99 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -139.53 116.29 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.222 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 2.1 mp -99.42 135.74 40.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 0.0 111.352 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -132.13 94.25 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.9 136.15 15.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.63 35.37 24.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.79 15.45 5.91 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.416 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.68 112.69 24.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.734 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -91.37 142.27 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.98 157.06 44.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -123.5 160.32 27.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.946 0.403 . . . . 0.0 111.452 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -163.46 142.97 8.44 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.62 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pp -136.58 143.19 36.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.938 0.399 . . . . 0.0 111.553 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.62 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.3 mmtt -143.77 144.24 31.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.426 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.79 108.43 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.916 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.38 159.88 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.235 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.03 -29.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.011 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.32 -150.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -128.16 -38.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.507 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.32 -24.87 17.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.611 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 mm -70.49 -45.15 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.845 0.355 . . . . 0.0 110.736 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . . . -63.91 -45.44 89.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.8 pt-20 -57.34 -31.33 65.61 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.482 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.6 -34.0 77.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.877 178.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.32 -36.24 19.4 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 121.957 0.884 . . . . 0.0 110.805 179.06 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.62 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 21.2 m-30 -63.19 -40.35 97.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.897 -1.502 . . . . 0.0 107.563 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 14.3 ptmt -78.94 -21.54 47.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.49 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.545 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 6.1 tp -67.53 -46.18 73.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.685 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.443 ' CD1' ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.99 -34.26 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.742 178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.26 -31.59 69.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.998 0.428 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -85.34 -31.49 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.16 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.8 -32.3 52.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.905 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' CG ' ' CD1' ' A' ' 33' ' ' ILE . 10.3 mmtm -93.78 -55.99 3.05 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -105.32 -161.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.02 -64.4 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 3.0 tm-20 171.18 144.63 0.03 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.04 -157.19 8.09 Favored Glycine 0 CA--C 1.516 0.144 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.769 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.442 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 3.1 m -78.42 104.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 109.924 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CG ' HG23 ' A' ' 54' ' ' VAL . 10.7 m95 -81.84 134.07 35.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.003 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.07 150.27 34.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.543 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 31.5 t80 -138.56 142.64 39.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.232 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -107.17 136.16 47.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.528 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -92.5 -28.1 17.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.024 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -34.82 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.371 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.424 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.01 13.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 33.8 mttm 49.93 78.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 0.0 111.224 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -146.21 128.06 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.3 m-85 -97.34 142.26 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.368 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.7 m -143.67 139.68 29.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.501 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.53 139.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.605 178.564 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.442 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 82.8 m -131.05 151.36 51.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.991 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.741 0.305 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m -82.67 134.57 35.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.602 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -109.97 158.49 18.19 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.549 0.531 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -131.72 136.23 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 16.2 tp -119.93 143.75 47.82 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.468 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 mm -137.44 116.5 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.322 177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.0 mp -99.18 135.66 40.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -128.76 90.3 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -108.18 60.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.797 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 tttt 55.86 102.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.108 0.48 . . . . 0.0 110.905 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 56.94 19.07 4.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.681 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.37 117.63 21.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.52 135.04 54.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.16 157.0 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -123.67 161.21 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 111.501 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -167.37 143.06 4.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.484 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.0 pt -140.23 142.7 30.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.935 0.398 . . . . 0.0 111.49 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.639 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 23.1 mmtt -142.73 141.56 31.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -112.2 108.21 17.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.58 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.02 160.64 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.419 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.1 p -69.41 -29.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -113.41 -151.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -124.54 -36.22 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 111.371 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.524 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.51 -29.22 31.07 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.583 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.3 mm -66.85 -41.49 87.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -66.95 -48.98 66.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.8 pt-20 -51.88 -33.89 38.69 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.664 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 14.8 mttt -63.3 -43.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.878 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.617 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.9 -33.09 57.81 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 121.886 0.851 . . . . 0.0 111.292 179.351 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.6 m-30 -67.62 -42.66 82.0 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.056 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.3 pttt -76.55 -21.04 56.21 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.907 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.617 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 1.0 OUTLIER -60.96 -55.74 29.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.984 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.449 HD11 ' CG ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -82.63 -35.37 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.962 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -34.24 74.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.923 0.392 . . . . 0.0 110.079 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -77.83 -34.15 52.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.67 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.41 -33.52 63.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.379 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -75.86 -55.81 5.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.369 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.36 -171.3 2.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.517 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 m -153.23 49.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -175.86 130.07 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.87 152.79 6.18 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.765 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.62 110.47 14.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 7.6 m95 -80.37 130.25 35.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.0 156.62 43.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.4 t80 -138.58 142.55 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -106.62 136.2 46.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -92.91 -28.13 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.96 -33.72 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.304 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.477 HG22 HD11 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.81 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 13.5 mttt 49.3 78.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.1 m -146.49 128.28 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.402 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.4 m-85 -94.96 143.18 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -143.88 142.72 30.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.207 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.522 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 132.9 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.686 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.06 118.13 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.418 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' CG ' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.932 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.853 0.359 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -93.79 140.74 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.612 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -108.37 158.08 17.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -131.91 136.6 47.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.509 HD23 ' CD1' ' A' ' 30' ' ' PHE . 14.8 tp -120.07 143.96 47.84 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.797 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mm -137.2 116.37 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.187 176.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 1.4 mp -100.18 132.35 45.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.923 0.392 . . . . 0.0 111.317 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.69 109.26 10.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -116.78 -19.96 9.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -159.23 -78.73 0.06 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.867 0.365 . . . . 0.0 110.738 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -131.38 -58.19 1.0 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.652 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 132.0 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.782 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.43 130.79 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.53 157.1 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.349 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.7 160.61 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 111.835 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.78 142.92 4.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.419 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.5 pt -139.35 143.73 30.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.022 0.439 . . . . 0.0 111.749 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.628 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.5 mmtt -142.73 129.23 20.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.327 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.14 108.37 20.97 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 177.72 8.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 111.067 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.9 p -92.79 -30.08 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -106.08 -149.14 0.42 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -131.06 -40.54 1.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.302 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.537 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.97 -26.48 19.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.632 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.48 -43.06 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 110.805 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . . . -65.71 -44.42 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.571 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -57.63 -32.07 66.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.562 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 29.4 mttm -63.89 -37.68 88.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.847 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -82.96 -36.32 25.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 121.851 0.834 . . . . 0.0 110.854 179.106 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.628 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.0 m-30 -63.35 -41.04 98.83 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.06 -1.427 . . . . 0.0 107.549 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -78.71 -21.43 48.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.387 176.579 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -67.37 -45.5 76.11 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.583 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 37' ' ' LYS . 1.3 tp -87.57 -34.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.718 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -58.95 -31.21 68.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.041 0.448 . . . . 0.0 109.929 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -84.61 -33.45 23.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.896 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.45 -30.23 57.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.757 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.91 -55.89 3.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.757 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.18 -160.57 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.901 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.64 -62.85 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -172.86 -159.43 0.12 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.97 0.414 . . . . 0.0 110.593 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.12 -166.41 28.48 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 3.1 m -78.63 104.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' CG ' HG23 ' A' ' 54' ' ' VAL . 11.6 m95 -83.8 130.75 34.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.798 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -147.05 154.1 40.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.72 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.435 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 27.0 t80 -138.57 142.62 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.977 0.418 . . . . 0.0 110.986 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -111.36 136.27 50.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.765 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -89.86 -28.1 19.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.7 -32.5 3.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG23 HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.99 19.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 111.533 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 4.7 mtpp 47.64 76.88 0.1 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.258 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.8 m -145.05 129.15 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.467 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HB3' ' CD1' ' A' ' 5' ' ' LEU . 1.2 m-85 -96.3 143.06 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -143.64 140.79 30.29 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.115 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.48 144.85 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.642 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.407 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.04 149.81 52.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.895 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 m -90.25 122.13 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.6 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.3 m-30 -85.36 157.49 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -130.85 134.99 47.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' ' 30' ' ' PHE . 17.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.7 mm -137.94 116.36 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.19 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.9 mp -100.25 133.41 44.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.99 0.424 . . . . 0.0 111.679 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -132.37 96.37 3.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.617 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -101.12 29.39 4.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 tttm 55.64 33.23 20.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -151.4 -58.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.002 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.62 146.88 38.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.764 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -94.94 144.38 25.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.64 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -135.96 157.04 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.797 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -122.7 162.16 22.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.966 0.413 . . . . 0.0 111.39 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -167.04 142.98 4.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.637 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 pt -138.34 142.33 35.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.947 0.403 . . . . 0.0 111.512 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.637 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 35.8 mmtt -143.14 104.02 4.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.477 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -81.53 108.34 15.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.144 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.62 -174.77 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 p -95.95 -30.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -106.31 -148.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.449 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -133.43 -42.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 111.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.512 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.99 -26.95 20.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.614 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.7 mm -68.54 -41.23 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.792 0.33 . . . . 0.0 110.779 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -68.14 -48.54 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.587 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -52.62 -32.75 43.26 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.576 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 18.5 mttt -63.67 -46.36 85.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.743 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.589 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.8 -33.06 65.99 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 121.916 0.865 . . . . 0.0 111.166 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.637 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.92 -39.9 87.49 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.192 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 8.9 ptmt -79.46 -21.23 45.71 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.679 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.589 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -57.5 -57.76 11.24 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.486 HG13 ' HG3' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -79.63 -36.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.555 ' HB2' ' HA ' ' A' ' 31' ' ' LYS . . . -56.75 -35.57 68.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 110.104 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -76.44 -34.91 58.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.585 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.64 -31.05 64.82 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.292 178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.486 ' HG3' HG13 ' A' ' 33' ' ' ILE . 10.2 mttm -80.54 -55.83 4.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.203 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.7 t -139.24 -159.13 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.223 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 p -166.69 30.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.722 0.296 . . . . 0.0 111.586 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -156.75 122.49 4.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.3 154.81 7.59 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.858 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 m -78.72 114.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 110.528 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.0 m95 -85.57 131.44 34.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.431 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.3 p -145.73 148.69 33.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 37.6 t80 -138.64 142.81 39.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.398 . . . . 0.0 111.31 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -110.49 136.09 50.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.447 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -89.97 -30.11 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.13 -35.2 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -128.78 0.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 8.1 mttt 54.42 70.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.069 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.6 m -143.95 127.41 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.306 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.1 m-85 -94.57 142.56 27.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.378 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.67 140.68 30.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 130.48 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.629 178.646 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.9 m -122.54 134.44 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.122 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.89 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.5 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.677 0.275 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -93.72 127.61 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.07 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.599 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.7 m-30 -94.93 159.02 15.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -134.83 137.72 43.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.997 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' ALA . 14.5 tp -120.15 144.01 47.9 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.155 0.502 . . . . 0.0 111.822 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -135.71 116.58 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.772 176.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 14' ' ' GLU . 4.5 mp -102.87 136.24 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 111.886 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -135.25 71.91 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.514 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.6 mm? -87.99 -74.18 0.46 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.748 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -80.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.718 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -145.7 -54.28 0.28 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.63 177.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -126.58 132.31 51.33 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.788 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -109.04 157.1 19.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.01 159.31 25.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.148 0.499 . . . . 0.0 111.755 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -165.18 143.14 6.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.326 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.61 142.9 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.095 0.474 . . . . 0.0 111.692 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.628 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -143.3 104.84 4.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 108.36 14.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.271 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.66 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -91.93 -29.71 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -101.61 -149.2 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.545 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -138.06 -42.64 0.52 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.04 -28.51 17.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.562 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.78 -40.53 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . . . -67.54 -48.71 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.598 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -52.29 -33.95 44.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.555 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.4 mttt -62.35 -46.51 88.33 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.806 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.586 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -73.41 -33.48 65.0 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.936 0.874 . . . . 0.0 111.227 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.628 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 19.8 m-30 -66.56 -40.73 89.17 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.191 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.28 -21.28 50.01 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.664 176.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -57.92 -56.6 19.91 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.431 HG13 ' HG3' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -81.53 -35.88 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 179.232 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -61.71 -33.17 73.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.92 0.39 . . . . 0.0 110.364 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -78.75 -31.98 46.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.808 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.91 -38.08 54.18 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.679 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -65.64 -55.9 15.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.96 -163.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.532 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 t -142.78 -179.35 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.758 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 63.15 124.41 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.86 0.362 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.0 147.91 4.93 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.77 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.3 m -78.66 104.67 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.324 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -79.83 120.21 23.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.283 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.39 156.95 46.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.2 t80 -138.54 142.54 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -108.12 136.11 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -92.04 -28.91 16.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.02 -32.13 32.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -141.04 14.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 1.1 mptt 47.56 77.39 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.7 m -147.3 126.12 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.042 0.449 . . . . 0.0 111.489 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 1.3 m-85 -93.18 142.83 26.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.926 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 m -143.91 141.64 30.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.231 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 127.32 74.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 178.471 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.04 133.43 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 111.084 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t -87.47 127.51 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.559 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -91.85 153.8 19.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -129.33 134.18 47.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 111.337 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 16' ' ' ALA . 19.8 tp -120.07 143.88 47.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.373 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.1 mp -140.6 116.21 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.575 177.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.6 mp -97.1 131.44 43.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.428 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.75 126.06 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.563 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' CD2' HG21 ' A' ' 38' ' ' THR . 4.9 mp -144.44 77.83 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 69.08 -69.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -134.8 -48.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.79 117.5 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.42 153.55 27.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.79 157.02 46.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.65 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.36 160.47 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.266 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' LEU . . . -163.7 142.88 8.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.62 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.455 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 1.5 pp -139.25 139.09 40.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.453 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -141.33 109.21 5.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.318 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.83 116.61 14.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.35 174.1 1.04 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.25 -34.69 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 89.98 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.334 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.26 -32.14 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.02 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.3 -26.48 64.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.459 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 mm -74.16 -39.44 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.617 0.246 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -40.27 78.85 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.302 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -62.88 -32.23 73.43 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.488 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.49 -35.91 82.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.317 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 2.6 m-85 -87.14 -36.12 18.24 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.896 0.855 . . . . 0.0 110.888 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 15.7 m-30 -63.28 -39.25 94.05 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.994 -1.457 . . . . 0.0 107.239 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.51 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -83.66 -21.69 32.37 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.783 177.259 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HB3' ' HA ' ' A' ' 29' ' ' TYR . 18.4 tp -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.692 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.443 HD13 ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -79.75 -39.19 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 178.606 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.51 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -54.8 -32.12 59.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.051 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -78.74 -32.7 46.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.011 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.62 34.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.939 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' CG ' HD13 ' A' ' 33' ' ' ILE . 3.8 mmtm -93.92 -55.86 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -80.99 -178.59 6.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.075 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -122.33 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.486 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 178.33 140.82 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.079 0.466 . . . . 0.0 110.83 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.36 -177.09 40.89 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.129 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' CG2' ' CB ' ' A' ' 55' ' ' THR . 16.8 m -78.51 105.71 8.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.069 0.461 . . . . 0.0 110.327 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 6.9 m95 -81.59 134.56 35.51 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.52 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -146.94 153.58 40.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.724 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 t80 -138.77 142.61 38.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.864 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.9 136.37 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.54 -26.1 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -44.35 -53.49 6.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.387 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.432 HD11 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.6 25.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.647 0.26 . . . . 0.0 111.118 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 3.7 mptt 54.92 87.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.264 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -145.02 120.38 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.379 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 2.0 m-85 -94.35 140.57 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.223 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -143.76 141.92 30.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.943 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.521 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 145.45 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.402 ' CB ' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -131.21 128.43 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.651 0.262 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -76.38 119.42 20.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.133 0.492 . . . . 0.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.5 m-30 -106.72 152.91 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.034 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.68 135.41 49.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 30' ' ' PHE . 15.6 tp -119.98 144.07 47.69 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 112.075 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.2 mm -135.51 116.11 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -102.43 131.23 49.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.104 0.478 . . . . 0.0 111.752 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.53 108.03 8.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.702 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.3 pt? -108.71 28.88 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.42 35.11 5.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -154.83 -77.33 0.1 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.539 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.86 163.87 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.764 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 122.78 43.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -116.14 157.07 25.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.749 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.82 162.05 19.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.352 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -159.54 143.06 14.51 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.797 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 1.4 pp -138.49 134.89 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.568 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.753 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.99 134.05 29.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -106.05 108.76 20.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.338 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.13 178.65 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.507 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.11 -35.32 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.497 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.14 -150.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -115.18 -28.7 6.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.692 0.282 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.528 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.56 -29.91 61.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.826 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.44 -45.81 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.838 0.352 . . . . 0.0 111.302 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.52 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -65.86 -45.91 80.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.707 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -54.22 -31.77 54.09 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.732 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 10.7 mtmm -65.1 -42.77 93.72 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.203 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 2.6 m-85 -81.78 -35.65 29.32 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.854 0.835 . . . . 0.0 111.246 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.753 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -66.06 -34.43 78.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.161 -1.381 . . . . 0.0 107.557 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HA ' ' HB1' ' A' ' 34' ' ' ALA . 2.4 ptmt -89.85 -21.45 22.55 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.838 176.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB3' ' HA ' ' A' ' 29' ' ' TYR . 49.8 tp -59.85 -53.1 61.89 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 120.371 -0.531 . . . . 0.0 109.925 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.506 HD13 ' HG3' ' A' ' 37' ' ' LYS . 1.4 tp -82.47 -37.92 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.866 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -57.83 -33.69 68.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.087 0.47 . . . . 0.0 109.992 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -77.64 -31.84 52.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.655 178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.53 -34.01 54.09 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.506 ' HG3' HD13 ' A' ' 33' ' ' ILE . 5.2 mtpm? -71.03 -55.83 7.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.061 0.457 . . . . 0.0 110.258 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -168.12 2.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.446 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 m -153.38 45.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.674 0.273 . . . . 0.0 111.562 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.46 127.95 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.901 0.381 . . . . 0.0 111.199 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.4 157.64 8.51 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.616 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.1 m -78.7 110.92 14.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.028 0.442 . . . . 0.0 110.486 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 5.5 m95 -84.33 129.38 34.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.387 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -147.08 154.22 40.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 14.7 t80 -138.52 142.76 39.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.7 136.23 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -95.72 -28.57 14.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -32.52 35.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.62 16.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 49.04 80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.817 0.341 . . . . 0.0 111.163 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 50.2 m -148.08 126.24 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.039 0.447 . . . . 0.0 111.468 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 2.0 m-85 -93.37 142.23 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.31 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.8 m -143.91 137.5 27.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.995 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.47 123.11 66.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.57 140.71 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.394 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.66 0.267 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.07 115.74 27.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 110.955 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.608 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.6 m-30 -103.04 151.99 21.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.294 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -131.71 137.27 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.495 HD21 ' CD1' ' A' ' 30' ' ' PHE . 15.4 tp -120.01 143.89 47.81 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.2 0.524 . . . . 0.0 111.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.6 mm -140.13 116.4 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.352 176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 1.9 mp -96.84 133.35 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.939 0.399 . . . . 0.0 111.164 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -136.03 84.06 2.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.124 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -80.75 -73.61 0.36 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.804 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -109.84 -77.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -125.46 -43.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.69 157.61 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.729 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -129.55 151.27 50.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.278 0.561 . . . . 0.0 110.571 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.96 157.07 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.691 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.3 162.21 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.473 . . . . 0.0 111.543 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 5' ' ' LEU . . . -166.72 143.01 4.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.305 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.5 pt -138.66 143.99 30.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 0.0 111.677 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.657 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 10.9 mmtt -144.24 121.34 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.193 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.08 113.51 25.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.31 175.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.303 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.48 -31.15 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.82 90.24 5.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.446 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.494 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -44.42 -39.22 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.767 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.99 -25.87 57.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.439 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.9 mm -71.45 -39.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.698 0.285 . . . . 0.0 110.712 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . . . -67.02 -46.15 75.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.7 pt-20 -57.03 -31.34 65.05 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.8 -39.41 93.54 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.072 178.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.423 ' CB ' ' HD2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -81.42 -37.09 28.64 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-O 121.958 0.885 . . . . 0.0 110.688 179.195 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.657 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 18.3 m-30 -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.985 -1.461 . . . . 0.0 107.307 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 3.4 ptmm? -80.17 -21.55 42.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.788 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 26.2 tp -65.56 -47.82 74.5 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 120.466 -0.494 . . . . 0.0 109.756 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.506 HG13 ' HG3' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -86.98 -35.09 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.759 178.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -37.52 83.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -74.61 -33.94 62.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.569 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.04 -23.97 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.76 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.506 ' HG3' HG13 ' A' ' 33' ' ' ILE . 12.0 mttm -87.26 -56.05 3.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.061 0.458 . . . . 0.0 110.739 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 39' ' ' VAL . 8.6 t -115.23 -158.88 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.917 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' N ' ' OG1' ' A' ' 38' ' ' THR . 12.1 p -104.36 -51.25 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER 165.59 148.37 0.02 OUTLIER 'General case' 0 C--O 1.231 0.105 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.86 -162.69 11.4 Favored Glycine 0 CA--C 1.517 0.215 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.676 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.42 ' CG2' ' HB ' ' A' ' 55' ' ' THR . 31.4 m -78.56 104.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.134 0.492 . . . . 0.0 110.016 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CG ' HG23 ' A' ' 54' ' ' VAL . 9.9 m95 -83.24 132.86 35.03 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.132 -178.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.9 p -147.17 151.74 37.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.59 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.9 t80 -138.61 142.57 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -108.38 136.18 48.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.601 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.85 -28.93 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -34.05 27.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.482 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.48 HD13 HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.49 13.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.651 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 9.8 mttt 47.85 75.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.293 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 m -145.2 126.63 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 111.191 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.506 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 1.4 m-85 -93.25 142.52 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 m -143.68 140.58 30.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.957 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG23 ' CG ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.44 145.55 30.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.551 178.574 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.42 ' HB ' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.97 150.15 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.343 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 m . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.455 0.169 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.578 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 4.4 m-30 -84.67 161.14 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 51' ' ' THR . 4.0 ttpp -134.84 134.1 40.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.878 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 18.6 tp -119.89 143.99 47.65 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.233 0.539 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.711 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.6 mm -139.15 116.16 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.221 176.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.754 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -100.94 130.54 46.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 110.914 -178.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.9 136.85 54.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.173 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.78 HD11 HG23 ' A' ' 38' ' ' THR . 6.3 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.711 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.754 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.7 mm-40 -98.28 157.13 16.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.727 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -125.55 161.97 25.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.012 0.434 . . . . 0.0 111.6 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.878 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.17 143.0 8.86 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.459 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -136.51 141.79 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.959 0.409 . . . . 0.0 111.515 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.682 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.9 mmtt -144.41 121.06 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.327 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.81 111.47 23.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.219 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.61 143.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.14 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.17 -32.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.938 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -77.36 86.97 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.554 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -45.17 -39.47 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.559 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.24 -25.61 54.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.396 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.0 mm -71.25 -40.61 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.726 0.298 . . . . 0.0 110.73 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.06 -47.96 75.48 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.098 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -54.8 -34.87 63.24 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.3 mmtt -61.25 -36.73 80.78 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.163 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -83.95 -35.74 23.77 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.947 0.879 . . . . 0.0 110.918 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.701 ' CB ' HD22 ' A' ' 5' ' ' LEU . 21.8 m-30 -63.75 -39.28 93.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.013 -1.449 . . . . 0.0 107.588 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 6.4 ptpt -81.37 -21.53 38.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.655 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 8.6 tp -66.18 -46.23 78.09 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.766 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.76 -32.6 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.742 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -60.69 -32.0 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.071 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 1.2 t-20 -84.09 -32.24 24.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.013 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.02 -39.39 50.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.71 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.766 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.85 -56.0 3.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.78 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -84.82 -165.68 1.26 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 40' ' ' GLU . 4.4 m -128.91 -51.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.631 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' H ' HG23 ' A' ' 39' ' ' VAL . 2.0 pt-20 175.25 139.75 0.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.119 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.66 -168.89 30.47 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.048 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 55' ' ' THR . 30.9 m -78.66 107.86 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 0.0 110.497 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.0 m95 -83.47 133.27 34.91 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.508 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 p -146.96 150.17 34.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.668 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.528 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 29.4 t80 -138.53 142.54 39.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 136.09 48.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.603 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -92.52 -28.69 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -32.41 37.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.456 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.24 15.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.942 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 47.98 77.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 111.236 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.8 m -143.17 127.66 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 111.379 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.821 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-85 -97.94 141.19 31.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.04 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -143.78 139.93 29.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.073 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.502 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 144.18 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 178.661 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.19 129.51 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.07 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.881 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.616 0.246 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.672 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -88.9 155.66 19.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 51' ' ' THR . 51.4 mttp -131.53 133.0 44.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.111 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.856 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.5 tp -119.93 143.94 47.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.311 0.577 . . . . 0.0 112.031 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 5' ' ' LEU . 39.4 mm -138.62 116.37 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.907 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.861 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.1 mp -102.35 130.38 49.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.076 0.465 . . . . 0.0 111.507 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.26 110.55 11.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.3 pt? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.349 0 CA-C-O 120.633 0.254 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.861 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -124.16 157.29 35.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -123.27 162.42 22.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.856 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.37 143.11 4.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.945 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.3 pt -137.54 142.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.425 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 34.4 mmtt -143.6 104.06 4.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.614 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.76 112.4 8.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.56 172.4 1.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.062 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.2 p -102.65 -43.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' N ' HG13 ' A' ' 21' ' ' VAL . 23.5 t0 -66.43 88.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.34 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.58 -30.81 0.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.977 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.87 -27.97 71.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.514 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.1 mm -71.16 -40.23 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.63 -46.78 74.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -56.08 -31.45 63.23 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -64.4 -39.74 94.43 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -81.63 -37.67 27.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 122.03 0.919 . . . . 0.0 110.782 179.253 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.672 ' HZ ' ' HB3' ' A' ' 3' ' ' TYR . 19.7 m-30 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.455 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 12.3 ptpt -80.14 -21.52 43.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.429 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CE1' ' A' ' 29' ' ' TYR . 13.1 tp -67.32 -44.17 79.8 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.92 -33.53 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.88 -28.51 67.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.013 0.435 . . . . 0.0 110.149 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.66 -32.46 18.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.098 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.57 57.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.779 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.1 mmtp -93.84 -55.86 3.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -164.14 1.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -61.58 2.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.8 156.15 0.05 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.358 0.599 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.7 -155.84 10.83 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.866 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 55' ' ' THR . 3.0 m -78.59 104.6 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 110.146 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.505 ' HA ' HG23 ' A' ' 54' ' ' VAL . 11.2 m95 -82.81 132.23 35.17 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.813 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -146.97 150.35 34.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.657 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.0 t80 -138.61 142.71 39.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.0 111.345 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' HD3' HD11 ' A' ' 49' ' ' ILE . 10.4 mtpt -107.51 136.15 47.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -92.62 -28.68 16.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.044 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -34.66 55.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.672 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.29 12.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 49.9 78.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 111.265 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 4' ' ' LYS . 62.3 m -147.14 127.07 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.827 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -96.41 142.94 27.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.644 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -143.75 138.11 28.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.084 -179.309 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 143.67 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.55 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.02 150.37 52.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.857 179.644 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.341 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.609 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.5 m-30 -101.26 152.95 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 1.9 mptt -130.4 135.6 48.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.095 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.924 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 17.3 tp -119.86 143.77 47.73 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.186 0.517 . . . . 0.0 111.656 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.811 HD13 ' O ' ' A' ' 5' ' ' LEU . 25.8 mm -137.78 116.41 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.226 176.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.4 mp -100.51 132.05 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.995 0.426 . . . . 0.0 111.4 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.81 106.82 8.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.7 pt? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.917 0.389 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 7' ' ' LEU . 47.4 tp10 -101.04 157.0 17.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.35 162.25 23.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.072 0.463 . . . . 0.0 111.69 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.924 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 143.04 6.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.437 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -137.99 141.96 37.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.945 0.402 . . . . 0.0 111.616 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.689 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 5.7 mmtt -144.15 123.3 12.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.331 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.21 113.0 24.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.32 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.88 141.51 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.99 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.33 -32.24 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.197 0.523 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.4 88.72 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.496 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.601 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.14 -33.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.715 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -58.39 -28.82 62.53 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.286 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.75 -39.83 80.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.647 0.261 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.93 -46.79 73.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.286 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.0 pt-20 -54.92 -33.52 62.25 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.605 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 14.7 mtmt -61.98 -45.29 94.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.972 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -75.78 -35.93 59.95 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.855 0.836 . . . . 0.0 111.203 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.689 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 18.7 m-30 -63.59 -40.65 97.49 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.106 -1.406 . . . . 0.0 107.626 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 8.8 ptpt -80.82 -21.61 40.69 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.528 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.2 tp -67.51 -45.19 76.52 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.777 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -86.82 -31.41 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.79 -31.04 69.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.113 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -32.67 20.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.036 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -74.89 -38.63 61.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.825 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.777 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.0 mmmt -93.98 -55.88 3.06 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.581 ' OG1' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -96.6 -169.14 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.689 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.76 -63.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.627 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 1.1 tt0 172.14 143.46 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.999 0.428 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -161.84 -157.1 8.69 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.062 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.9 m -78.55 104.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.055 0.455 . . . . 0.0 110.451 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.4 m95 -81.91 132.5 35.27 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -146.94 148.32 31.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.7 t80 -138.52 142.62 39.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.969 0.414 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.2 136.44 52.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.813 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -86.1 -26.39 25.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.654 ' HG3' HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -42.55 -41.31 2.96 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.526 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.654 HD13 ' HG3' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -146.6 22.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 7.7 mptt 51.48 80.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -141.36 128.57 20.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 111.456 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.858 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-85 -102.46 140.33 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.045 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -143.91 141.18 30.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.171 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 144.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 178.518 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.92 151.88 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.637 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.7 m-30 -100.13 160.05 14.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -133.73 136.71 44.81 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.848 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.3 tp -120.19 143.82 48.04 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.918 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 5' ' ' LEU . 20.6 mm -137.28 116.42 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.987 176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.2 mp -105.76 135.79 46.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.255 0.55 . . . . 0.0 111.94 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.99 108.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.393 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.568 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.3 pt? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.945 0.402 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.659 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -117.41 156.97 27.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.884 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 162.31 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.848 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.89 143.02 4.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.032 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.2 pt -137.31 142.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.683 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 19.6 mmtt -143.44 136.87 28.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.578 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.79 108.49 19.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.771 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.09 170.17 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.398 . . . . 0.0 111.382 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -80.55 -30.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -110.25 -149.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -128.24 -38.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.249 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.94 -24.87 21.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.7 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.84 -44.47 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -63.96 -45.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.464 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.2 pt-20 -56.8 -32.9 66.16 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.529 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -63.29 -34.32 77.44 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.923 178.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.58 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.03 -36.07 19.95 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-O 121.994 0.902 . . . . 0.0 110.798 178.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CB ' HD22 ' A' ' 5' ' ' LEU . 20.8 m-30 -63.01 -39.9 96.17 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 113.966 -1.47 . . . . 0.0 107.583 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.4 ptmt -80.66 -21.43 41.41 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.656 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.0 tp -66.99 -45.15 78.49 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.93 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.565 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -89.17 -35.32 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.753 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.68 -30.35 68.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.065 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -87.77 -31.92 19.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 -28.24 57.08 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.787 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.565 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -90.86 -48.6 6.92 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.489 179.588 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.6 p -151.6 -150.83 0.36 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.495 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.648 HG22 ' H ' ' A' ' 40' ' ' GLU . 2.4 p -173.0 178.56 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 121.33 -0.148 . . . . 0.0 110.992 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.648 ' H ' HG22 ' A' ' 39' ' ' VAL . 2.1 tt0 62.6 136.16 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.169 0.509 . . . . 0.0 111.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.16 157.19 7.05 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.787 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.4 m -78.67 105.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.167 0.508 . . . . 0.0 110.301 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.2 m95 -80.26 124.69 29.04 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.515 -178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 p -146.94 160.73 41.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.776 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 18.6 t80 -138.49 137.83 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -102.5 136.2 42.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -90.91 -26.55 19.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -45.71 -32.66 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.34 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.646 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -152.32 22.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 111.676 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 5.1 mttp 49.28 78.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 4' ' ' LYS . 55.0 m -145.9 123.12 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.426 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.838 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -89.95 142.24 27.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.918 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -143.81 142.02 30.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.231 -0.441 . . . . 0.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.42 123.38 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.28 178.376 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.488 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -104.83 140.92 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.11 -179.707 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.425 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.608 0.242 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.721 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.2 m-30 -110.9 154.98 23.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 51' ' ' THR . 3.4 mppt? -131.62 138.54 48.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.949 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.7 tp -120.19 144.01 47.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.646 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.73 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.7 mp -136.93 116.25 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.235 176.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.7 mp -98.99 132.16 44.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.075 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.81 103.25 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.236 0.39 0 CA-C-O 120.365 0.126 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.0 mp0 -126.35 157.12 39.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.559 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -121.22 159.82 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.757 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.949 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.56 142.96 6.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -138.58 143.75 31.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.961 0.41 . . . . 0.0 111.632 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.703 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.3 mmtt -141.36 123.63 15.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.408 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 108.61 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.703 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.01 163.18 39.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.57 -29.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.527 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -97.22 -146.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.448 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -139.52 -43.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.15 -25.21 17.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.12 -43.2 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.845 0.355 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.28 -47.41 76.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.417 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -54.77 -33.19 61.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.866 ' O ' HD13 ' A' ' 32' ' ' LEU . 2.7 mmtt -63.15 -36.52 83.9 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.001 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.681 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.72 -34.68 24.85 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.957 0.884 . . . . 0.0 110.976 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.3 m-30 -64.82 -41.35 95.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.007 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 20.6 ptmt -76.24 -21.4 56.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.799 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -61.12 -56.78 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.001 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.583 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -80.35 -36.38 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.716 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -58.79 -38.1 77.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.905 0.383 . . . . 0.0 110.159 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.607 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.9 -28.56 58.13 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.509 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -82.4 -55.98 4.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.627 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.3 p -112.3 -164.55 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.783 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.47 16.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 168.67 153.19 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.293 0.568 . . . . 0.0 110.93 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 164.4 13.48 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.374 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.6 m -78.7 115.64 21.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.943 0.402 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 6.5 m95 -91.57 133.33 35.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.619 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -147.14 154.37 41.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 20.2 t80 -138.53 142.49 39.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.824 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -109.53 136.11 49.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -91.98 -28.45 17.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.49 -29.08 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.42 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.644 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.67 17.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.77 72.4 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.191 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.7 m -143.24 133.01 23.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 0.0 111.376 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.843 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -97.82 143.46 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.35 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.4 m -143.6 141.76 30.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.905 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.42 145.59 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.792 178.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -129.29 145.26 51.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.977 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.517 0.199 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.542 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.5 m-30 -101.94 151.8 21.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 51' ' ' THR . 13.1 mtmt -127.95 135.22 49.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.911 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.7 tp -120.2 143.82 48.04 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.374 0.607 . . . . 0.0 112.023 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 5' ' ' LEU . 33.5 mm -137.1 116.21 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.914 176.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.6 mp -100.57 132.55 45.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 111.701 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.25 106.52 7.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.716 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.855 ' CD1' HG21 ' A' ' 38' ' ' THR . 2.3 pt? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.623 0.249 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.825 ' HB3' HD13 ' A' ' 7' ' ' LEU . 5.6 mm-40 -117.35 157.06 26.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.71 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -126.47 162.32 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.254 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.45 143.05 4.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.943 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.492 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 3.4 pt -142.29 134.06 26.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.142 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.792 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.78 131.99 26.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.938 0.399 . . . . 0.0 111.22 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.49 108.52 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.84 169.12 17.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.91 -30.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.047 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.05 -151.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -120.88 -32.91 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 111.351 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.553 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -54.56 -29.67 48.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.727 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.86 -44.81 92.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.9 0.381 . . . . 0.0 111.345 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.34 -45.82 78.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.769 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -54.27 -31.45 53.74 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 10.4 mtmt -64.6 -45.01 88.76 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.11 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.638 ' CE1' HD23 ' A' ' 32' ' ' LEU . 2.2 m-85 -79.73 -36.03 38.0 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.851 0.834 . . . . 0.0 111.28 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.792 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -64.8 -34.22 77.84 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.148 -1.387 . . . . 0.0 107.831 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 15.2 ptpt -89.69 -21.38 22.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.667 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' CE1' ' A' ' 29' ' ' TYR . 26.5 tp -63.92 -46.5 84.49 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.945 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.626 HD11 ' HG2' ' A' ' 37' ' ' LYS . 1.4 tp -86.87 -36.62 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.95 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB3' ' HZ2' ' A' ' 43' ' ' TRP . . . -60.61 -31.75 70.91 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 110.222 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.75 -31.77 25.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.963 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.0 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.642 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.626 ' HG2' HD11 ' A' ' 33' ' ' ILE . 7.1 mmtt -55.47 -55.8 27.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.855 HG21 ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -148.06 -155.97 0.68 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.653 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.745 HG13 ' CG ' ' A' ' 40' ' ' GLU . 2.7 p -166.24 -179.53 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.745 ' CG ' HG13 ' A' ' 39' ' ' VAL . 5.6 mt-10 62.92 127.21 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.78 158.67 8.39 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.553 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG23 ' OG1' ' A' ' 55' ' ' THR . 3.2 m -78.71 104.71 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.004 0.43 . . . . 0.0 110.645 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 4.9 m95 -78.89 127.77 32.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.103 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -146.82 155.35 42.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.531 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 18.3 t80 -138.61 142.69 39.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.953 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -104.97 136.17 44.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.654 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.1 -28.29 15.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.6 -35.04 53.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.689 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.2 14.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 50.72 80.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 4' ' ' LYS . 90.0 m -148.13 126.34 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 111.484 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.803 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-85 -93.51 142.39 27.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.165 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 m -143.89 138.15 28.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.089 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.63 125.19 70.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 178.438 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.433 ' OG1' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -108.24 139.48 42.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.269 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 2' ' ' THR . 14.0 t . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.687 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-30 -103.74 154.42 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 51' ' ' THR . 1.6 mptm? -131.44 135.29 47.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.941 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.9 tp -119.98 143.83 47.82 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 111.812 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 5' ' ' LEU . 22.9 mm -137.96 116.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.154 176.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.765 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.3 mp -101.68 135.49 43.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.769 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.16 105.57 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.665 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.9 pt? . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.765 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.0 mm-40 -104.02 157.06 17.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.492 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -122.97 161.6 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.016 0.436 . . . . 0.0 111.56 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.941 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.81 142.87 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.474 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.705 ' O ' HD12 ' A' ' 17' ' ' ILE . 1.6 pp -137.98 142.53 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 0.0 111.606 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.676 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -144.01 136.85 27.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.218 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.41 116.07 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.75 148.78 0.56 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -73.45 -30.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -86.7 91.03 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.585 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.553 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.36 -34.51 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.662 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.574 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.87 -26.74 55.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' A' ' 28' ' ' LYS . 19.3 mm -70.12 -38.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.68 0.276 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.607 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.46 -45.37 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.338 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.9 pt-20 -56.56 -33.2 65.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.588 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 7.4 mtmm -63.07 -43.19 99.26 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.127 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.585 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -77.6 -34.88 53.34 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-O 121.874 0.845 . . . . 0.0 111.098 179.358 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CB ' HD22 ' A' ' 5' ' ' LEU . 18.5 m-30 -64.65 -38.48 91.15 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.731 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -84.8 -21.36 29.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.766 -1.106 . . . . 0.0 108.661 176.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 6.2 tp -65.98 -45.25 82.34 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.573 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.86 -34.94 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.775 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -57.96 -30.68 66.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 110.079 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.66 -33.03 18.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.948 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.93 -27.12 60.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.802 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.573 ' CG ' HD11 ' A' ' 33' ' ' ILE . 4.0 mmtm -92.94 -50.87 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.671 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 t -148.72 -151.68 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 40' ' ' GLU . 2.1 p -172.92 179.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.024 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.662 ' H ' HG22 ' A' ' 39' ' ' VAL . 12.5 tp10 62.61 135.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.206 0.527 . . . . 0.0 111.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.21 156.3 6.75 Favored Glycine 0 C--N 1.323 -0.157 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.74 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 55' ' ' THR . 5.3 m -78.73 105.44 7.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.046 0.45 . . . . 0.0 110.259 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.59 ' HA ' HG23 ' A' ' 54' ' ' VAL . 7.3 m95 -78.56 125.11 28.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.374 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -146.94 157.54 43.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 8.6 t80 -138.5 124.53 20.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -99.64 136.33 39.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 49' ' ' ILE . 11.5 t0 -62.56 -99.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.35 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 50.49 -81.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.716 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -134.93 29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.163 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.33 93.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 4' ' ' LYS . 66.4 m -149.97 132.85 16.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.83 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.7 m-85 -104.05 143.2 33.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.48 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.8 m -143.89 140.85 29.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.055 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.59 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.37 123.17 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.294 178.412 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.793 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -109.51 130.36 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.641 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -103.09 151.47 22.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.084 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 51' ' ' THR . 3.0 tttt -131.87 135.98 47.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.972 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 18.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.244 0.545 . . . . 0.0 112.009 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 5' ' ' LEU . 37.7 mm -139.36 116.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.056 176.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 14' ' ' GLU . 4.6 mp -103.79 141.61 35.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.011 0.434 . . . . 0.0 111.75 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.94 106.75 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.767 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.62 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.4 pt? . . . . . 0 CA--C 1.53 0.208 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.158 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 121.187 0.518 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.837 ' HB3' HD13 ' A' ' 7' ' ' LEU . 5.1 tp10 -114.33 144.18 43.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.281 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -109.0 160.06 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 111.516 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.972 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.77 142.86 4.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.465 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 3' ' ' TYR . 2.8 pt -141.74 141.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.699 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.4 mmtt -142.91 105.66 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.283 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.95 122.54 25.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.03 160.46 8.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.43 -28.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.97 -146.03 0.11 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -152.76 -44.69 0.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -53.61 -24.33 24.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.269 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.4 mm -70.05 -42.75 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.745 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.68 -47.88 73.98 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.396 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -53.91 -35.53 61.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.31 -40.58 91.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.166 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.59 -39.41 31.76 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-O 122.02 0.914 . . . . 0.0 110.975 179.315 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.699 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.1 m-30 -60.48 -40.49 91.46 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.729 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 6.3 ptpt -82.0 -21.48 37.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.614 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.621 HD23 ' CE1' ' A' ' 29' ' ' TYR . 24.1 tp -61.95 -46.49 89.06 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.092 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.609 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.1 tp -90.26 -35.59 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.765 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB2' HD21 ' A' ' 7' ' ' LEU . . . -61.26 -28.25 69.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.31 -31.7 18.82 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.831 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.27 -30.35 54.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.729 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.609 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.5 mmmt -91.27 -46.59 7.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.1 -160.47 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.396 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.759 HG13 ' OE2' ' A' ' 40' ' ' GLU . 14.7 p -178.3 35.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.579 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.759 ' OE2' HG13 ' A' ' 39' ' ' VAL . 6.0 mm-40 -149.88 118.0 6.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.9 158.61 9.15 Favored Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.905 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 55' ' ' THR . 3.4 m -78.63 107.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.265 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -78.57 128.19 33.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.444 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -146.88 150.48 35.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.3 t80 -138.53 142.58 39.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -110.97 136.2 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.614 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.27 -28.97 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.984 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.16 -34.96 59.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.668 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -135.1 8.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER 50.64 76.13 0.16 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.353 . . . . 0.0 111.246 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 4' ' ' LYS . 90.7 m -146.25 125.42 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 111.524 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-85 -94.58 141.27 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.914 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -144.04 140.31 29.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.55 137.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.181 178.126 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -128.31 128.01 43.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.979 0.419 . . . . 0.0 111.316 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.786 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.723 0.297 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.538 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.1 m-30 -99.36 154.35 18.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 51' ' ' THR . 1.0 OUTLIER -128.16 136.22 50.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.938 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -120.06 143.88 47.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 111.675 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 5' ' ' LEU . 27.8 mm -138.52 116.26 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.357 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.8 mp -97.27 131.09 44.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.976 0.417 . . . . 0.0 111.016 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.27 92.94 3.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.2 pt? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.457 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.331 0.586 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.716 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.4 mp0 -132.91 157.06 46.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.86 162.31 24.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.501 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.938 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 142.98 5.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.626 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -140.41 136.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.752 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.58 138.94 31.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.848 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -105.32 119.21 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.21 135.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.199 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.55 -30.31 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.01 91.97 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.559 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -43.83 -30.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.665 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -59.98 -26.83 63.77 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.384 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.2 mm -69.61 -43.52 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.688 0.28 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.24 -44.09 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.576 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -57.16 -31.42 65.38 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.48 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.0 mmtt -65.85 -40.68 91.95 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 m-85 -83.11 -35.12 25.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 121.879 0.847 . . . . 0.0 110.988 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.752 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.9 m-30 -64.25 -34.86 79.09 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.042 -1.435 . . . . 0.0 107.537 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 12.8 ptmt -89.69 -21.38 22.76 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.638 -1.164 . . . . 0.0 108.914 177.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 8.4 tp -64.66 -46.85 80.73 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.811 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -86.32 -35.05 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.859 178.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -59.61 -36.81 77.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -77.43 -31.54 54.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.513 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.473 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -74.83 -30.96 61.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 33' ' ' ILE . 2.5 mttp -81.73 -55.95 4.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 -156.75 0.76 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.137 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.7 p -170.91 43.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 178.4 137.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.048 0.451 . . . . 0.0 111.077 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.34 164.88 11.68 Favored Glycine 0 C--N 1.324 -0.106 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -81.38 115.97 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.266 179.573 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.564 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.2 m95 -89.89 130.99 36.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.69 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.7 p -147.07 155.51 42.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 4.5 t80 -138.64 142.55 39.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -107.21 136.17 47.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -96.15 -28.17 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.9 -31.04 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.665 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.99 18.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 111.46 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 47.41 75.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 111.252 179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.1 m -145.12 127.84 16.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.359 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.826 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 m-85 -93.98 141.76 28.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.353 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -143.84 141.63 30.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.564 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 123.8 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.581 178.652 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.5 m -105.13 144.15 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.131 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 121.317 0.58 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.762 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.7 m-30 -104.69 158.19 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.783 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 51' ' ' THR . 2.4 mtpp -129.09 134.71 48.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.904 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.3 tp -119.89 143.83 47.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 111.689 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 5' ' ' LEU . 25.0 mm -137.05 116.17 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.256 176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.8 mp -100.81 132.75 46.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.152 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.45 97.99 4.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.866 HD22 HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.847 0.356 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.6 tt0 -141.48 157.11 45.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -121.96 162.25 21.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.51 143.16 8.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.822 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.2 pp -141.96 135.09 28.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.793 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -138.68 141.8 39.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -112.09 108.19 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.781 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.54 170.9 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.354 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -76.19 -30.81 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.23 -150.09 0.45 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -117.49 -29.54 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 111.311 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.98 -28.48 60.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.832 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.31 -45.16 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.792 0.33 . . . . 0.0 110.991 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.01 -49.28 65.79 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.725 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 12.5 pt-20 -52.17 -29.12 20.79 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.8 mmpt? -68.16 -41.39 81.62 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.303 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE1' HD23 ' A' ' 32' ' ' LEU . 2.4 m-85 -82.74 -35.38 26.69 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.831 0.824 . . . . 0.0 111.057 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.793 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 14.5 m-30 -64.78 -34.23 77.85 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.572 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -89.69 -21.37 22.76 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.619 -1.173 . . . . 0.0 108.71 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 29' ' ' TYR . 23.2 tp -65.43 -46.99 77.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.032 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.631 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -85.42 -33.61 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -57.72 -30.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.003 0.43 . . . . 0.0 110.094 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -37.01 21.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.658 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -70.58 -31.46 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.461 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.631 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.9 mmtt -93.78 -53.52 3.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.866 HG23 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -117.71 -177.07 3.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 38' ' ' THR . 2.7 m -162.42 40.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.486 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.21 132.19 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.844 0.354 . . . . 0.0 111.341 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.49 160.96 10.04 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.8 m -78.67 113.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.021 0.439 . . . . 0.0 110.377 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 5.8 m95 -84.06 131.54 34.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.699 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.2 p -147.07 151.29 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 13.8 t80 -138.58 142.62 39.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.004 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -108.39 136.17 48.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.655 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -94.44 -28.9 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.55 -31.12 45.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -140.74 15.11 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.621 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mmmt 48.31 74.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.7 m -142.93 129.32 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.048 0.451 . . . . 0.0 111.629 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.831 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 m-85 -97.84 141.39 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.072 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.465 HG23 ' HB ' ' A' ' 6' ' ' ILE . 4.3 m -143.9 139.32 29.14 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.093 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.51 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.6 124.41 69.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.536 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.421 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -105.2 151.22 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.075 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 2' ' ' THR . 13.5 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.943 0.401 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.674 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.2 m-85 -108.95 151.71 25.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 51' ' ' THR . 1.9 tttt -132.26 138.81 48.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.739 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.897 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.7 tp -120.08 143.8 47.93 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.242 0.544 . . . . 0.0 111.913 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.761 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.3 mp -135.3 116.46 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.797 176.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -106.05 136.14 46.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.468 . . . . 0.0 111.824 -178.216 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.16 115.65 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.622 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.092 0.472 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.638 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -111.77 156.88 21.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.445 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.53 159.72 27.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.093 0.473 . . . . 0.0 111.595 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.04 142.92 7.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.516 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.7 pp -137.76 145.03 29.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.083 0.468 . . . . 0.0 111.52 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.7 mmtt -142.26 121.12 12.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.5 115.33 25.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.177 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.69 177.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.67 -30.46 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.008 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.29 92.72 7.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.566 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -43.09 -40.39 3.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.874 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.94 -24.92 51.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.5 mm -71.5 -40.51 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.44 -46.71 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.212 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -56.31 -32.06 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.59 -35.57 81.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.126 178.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.645 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -85.7 -33.74 21.44 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 121.904 0.859 . . . . 0.0 110.997 179.197 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.07 -39.78 90.34 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.52 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -78.64 -21.66 48.04 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.604 176.817 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.645 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 3.0 tp -69.07 -47.38 65.44 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.763 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -84.43 -32.41 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -59.48 -31.04 68.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 110.04 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -84.4 -33.41 23.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.08 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -76.6 -37.61 56.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.81 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.763 ' CG ' HD11 ' A' ' 33' ' ' ILE . 5.7 mmtt -93.83 -55.9 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.749 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -91.81 -160.93 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 40' ' ' GLU . 3.2 m -127.31 -54.24 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.649 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.463 ' H ' HG23 ' A' ' 39' ' ' VAL . 1.3 pt-20 169.54 142.73 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.074 0.464 . . . . 0.0 111.235 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.2 -160.66 14.84 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.914 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 55' ' ' THR . 4.2 m -78.62 104.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 110.274 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.515 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.3 m95 -81.57 131.67 35.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.69 -178.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -147.13 149.03 32.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.3 t80 -138.4 142.69 39.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.047 0.451 . . . . 0.0 111.098 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.7 136.09 52.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.525 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -90.12 -29.05 18.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.97 -32.29 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.185 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.724 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.57 14.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mttp 47.76 75.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.5 m -144.96 128.42 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 0.0 111.369 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.825 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 m-85 -97.14 142.09 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.297 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -143.67 139.47 29.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.115 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.51 121.77 63.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.517 178.508 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -99.78 127.3 45.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.202 -179.684 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.74 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.644 0.259 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.661 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.3 m-85 -109.45 153.51 23.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.252 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.749 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -132.41 139.23 47.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.468 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.8 tp -119.98 144.02 47.72 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.823 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.5 mp -136.12 116.48 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.153 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.3 mp -101.55 132.28 47.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.981 0.419 . . . . 0.0 111.475 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.99 104.3 7.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.4 pt? . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.168 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.199 0.523 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.687 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.5 mm-40 -111.56 156.99 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.356 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -120.62 159.15 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.159 0.504 . . . . 0.0 111.861 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.935 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.07 142.99 7.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.388 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.9 pp -138.38 143.72 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.923 0.392 . . . . 0.0 111.773 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.703 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 28.5 mmtt -142.72 121.62 12.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.307 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.91 120.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.623 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.69 -178.44 7.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.0 p -99.77 -29.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.99 -148.84 0.38 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -135.41 -42.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.77 -25.68 15.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.4 -44.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.547 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -64.57 -48.27 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.476 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.9 pt-20 -53.6 -33.95 56.72 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.537 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.886 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.0 mmpt? -62.69 -36.59 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.632 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.51 -34.63 25.28 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.93 0.872 . . . . 0.0 111.061 179.213 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.5 m-30 -64.9 -41.9 95.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.898 -1.501 . . . . 0.0 107.933 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -74.83 -21.41 59.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.729 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -63.28 -55.41 24.97 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.887 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -80.67 -36.94 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.33 -33.76 71.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.035 0.445 . . . . 0.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -77.79 -31.87 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.889 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.13 35.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -88.53 -55.88 3.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.21 -163.55 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.006 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 40' ' ' GLU . 31.5 m -120.1 -44.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.405 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 39' ' ' VAL . 19.1 tt0 -178.8 140.9 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.163 0.506 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.14 -175.81 34.53 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.203 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 55' ' ' THR . 3.3 m -78.61 105.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.162 0.506 . . . . 0.0 110.313 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.498 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 7.7 m95 -82.29 133.91 35.26 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.838 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -147.02 153.09 39.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 21.4 t80 -138.59 142.63 39.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 110.967 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -106.44 136.24 46.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.722 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -92.16 -27.22 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.41 -37.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.433 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.19 20.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER 51.29 78.99 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.069 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.749 HG22 ' HB3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -141.74 124.73 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.022 0.439 . . . . 0.0 111.445 -179.624 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.858 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 m-85 -96.04 140.92 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.162 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 m -143.78 141.76 30.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.09 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.498 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 143.73 35.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 178.571 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.631 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.95 147.32 52.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.769 0.319 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.652 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -108.04 155.92 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -131.35 134.88 46.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.312 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.846 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -119.99 143.95 47.77 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.25 0.548 . . . . 0.0 111.99 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.706 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.9 mp -139.53 116.29 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.222 176.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 7' ' ' LEU . 2.1 mp -99.42 135.74 40.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 0.0 111.352 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -132.13 94.25 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.485 0.183 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.652 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -142.98 157.06 44.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -123.5 160.32 27.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.946 0.403 . . . . 0.0 111.452 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.46 142.97 8.44 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.62 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.8 pp -136.58 143.19 36.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.938 0.399 . . . . 0.0 111.553 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.658 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.3 mmtt -143.77 144.24 31.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.426 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.79 108.43 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.916 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.38 159.88 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.235 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.03 -29.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.011 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.32 -150.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -128.16 -38.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.32 -24.87 17.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.611 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 mm -70.49 -45.15 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.845 0.355 . . . . 0.0 110.736 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -63.91 -45.44 89.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.8 pt-20 -57.34 -31.33 65.61 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.482 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.6 -34.0 77.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.877 178.808 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.32 -36.24 19.4 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 121.957 0.884 . . . . 0.0 110.805 179.06 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.691 ' CB ' HD22 ' A' ' 5' ' ' LEU . 21.2 m-30 -63.19 -40.35 97.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.897 -1.502 . . . . 0.0 107.563 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 14.3 ptmt -78.94 -21.54 47.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.49 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 6.1 tp -67.53 -46.18 73.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.685 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.701 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.99 -34.26 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.742 178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.26 -31.59 69.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.998 0.428 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -85.34 -31.49 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.16 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.8 -32.3 52.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.905 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.701 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.3 mmtm -93.78 -55.99 3.05 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -105.32 -161.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.478 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.02 -64.4 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 3.0 tm-20 171.18 144.63 0.03 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.04 -157.19 8.09 Favored Glycine 0 CA--C 1.516 0.144 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.769 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 55' ' ' THR . 3.1 m -78.42 104.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 109.924 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 10.7 m95 -81.84 134.07 35.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.003 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.07 150.27 34.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.543 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 31.5 t80 -138.56 142.64 39.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.232 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -107.17 136.16 47.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.528 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -92.5 -28.1 17.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.024 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -34.82 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.371 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.01 13.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 33.8 mttm 49.93 78.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 0.0 111.224 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -146.21 128.06 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.821 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -97.34 142.26 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.368 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.7 m -143.67 139.68 29.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.53 139.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.605 178.564 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.677 ' O ' HG22 ' A' ' 42' ' ' VAL . 82.8 m -131.05 151.36 51.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.991 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.324 0.107 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.756 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -109.97 158.49 18.19 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.549 0.531 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 51' ' ' THR . 5.9 mttt -131.72 136.23 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.94 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -119.93 143.75 47.82 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.468 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.4 mm -137.44 116.5 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.322 177.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.877 HD13 ' HB3' ' A' ' 14' ' ' GLU . 5.0 mp -99.18 135.66 40.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -128.76 90.3 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 121.153 0.501 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.877 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -140.16 157.0 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -123.67 161.21 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 111.501 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.94 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -167.37 143.06 4.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.484 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.756 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.0 pt -140.23 142.7 30.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.935 0.398 . . . . 0.0 111.49 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.681 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 23.1 mmtt -142.73 141.56 31.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -112.2 108.21 17.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.58 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.02 160.64 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.419 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.1 p -69.41 -29.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -113.41 -151.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -124.54 -36.22 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 111.371 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.555 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.51 -29.22 31.07 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.583 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.599 HD13 ' HE3' ' A' ' 28' ' ' LYS . 16.3 mm -66.85 -41.49 87.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.634 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.95 -48.98 66.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.8 pt-20 -51.88 -33.89 38.69 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.664 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.823 ' O ' HD13 ' A' ' 32' ' ' LEU . 14.8 mttt -63.3 -43.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.878 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.635 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.9 -33.09 57.81 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 121.886 0.851 . . . . 0.0 111.292 179.351 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.6 m-30 -67.62 -42.66 82.0 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.056 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.3 pttt -76.55 -21.04 56.21 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.907 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -60.96 -55.74 29.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.984 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -82.63 -35.37 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.962 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -34.24 74.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.923 0.392 . . . . 0.0 110.079 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -77.83 -34.15 52.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.67 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.41 -33.52 63.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.379 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -75.86 -55.81 5.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.369 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.583 HG21 ' HG ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -137.36 -171.3 2.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.517 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 m -153.23 49.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -175.86 130.07 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.87 152.79 6.18 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.765 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 55' ' ' THR . 27.3 m -78.62 110.47 14.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 7.6 m95 -80.37 130.25 35.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.0 156.62 43.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.4 t80 -138.58 142.55 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -106.62 136.2 46.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -92.91 -28.13 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.96 -33.72 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.304 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.81 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 13.5 mttt 49.3 78.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 4' ' ' LYS . 73.1 m -146.49 128.28 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.402 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.865 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -94.96 143.18 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -143.88 142.72 30.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.207 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.522 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 132.9 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.686 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.927 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.06 118.13 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.418 -179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.932 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.912 0.386 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.745 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -108.37 158.08 17.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 51' ' ' THR . 2.4 mtmt -131.91 136.6 47.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.973 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.8 tp -120.07 143.96 47.84 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.797 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.5 mm -137.2 116.37 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.187 176.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.4 mp -100.18 132.35 45.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.923 0.392 . . . . 0.0 111.317 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.69 109.26 10.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.746 HD13 HG23 ' A' ' 38' ' ' THR . 1.4 pt? . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.963 0.411 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.737 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -98.53 157.1 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.349 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.7 160.61 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 111.835 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.973 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.78 142.92 4.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.419 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.5 pt -139.35 143.73 30.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.022 0.439 . . . . 0.0 111.749 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.669 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.5 mmtt -142.73 129.23 20.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.327 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.14 108.37 20.97 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 177.72 8.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 111.067 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.9 p -92.79 -30.08 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -106.08 -149.14 0.42 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -131.06 -40.54 1.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.302 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.566 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.97 -26.48 19.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.632 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.48 -43.06 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 110.805 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.625 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.71 -44.42 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.571 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -57.63 -32.07 66.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.562 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 29.4 mttm -63.89 -37.68 88.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.847 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.527 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -82.96 -36.32 25.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 121.851 0.834 . . . . 0.0 110.854 179.106 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CB ' HD22 ' A' ' 5' ' ' LEU . 20.0 m-30 -63.35 -41.04 98.83 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.06 -1.427 . . . . 0.0 107.549 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -78.71 -21.43 48.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.387 176.579 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -67.37 -45.5 76.11 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.583 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.63 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.57 -34.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.718 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -58.95 -31.21 68.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.041 0.448 . . . . 0.0 109.929 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -84.61 -33.45 23.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.896 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.45 -30.23 57.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.757 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.63 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.91 -55.89 3.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.757 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.746 HG23 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -111.18 -160.57 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.901 -179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.64 -62.85 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -172.86 -159.43 0.12 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.97 0.414 . . . . 0.0 110.593 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.12 -166.41 28.48 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 55' ' ' THR . 3.1 m -78.63 104.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.484 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 11.6 m95 -83.8 130.75 34.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.798 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -147.05 154.1 40.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.72 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.461 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 27.0 t80 -138.57 142.62 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.977 0.418 . . . . 0.0 110.986 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -111.36 136.27 50.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.765 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -89.86 -28.1 19.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.7 -32.5 3.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.634 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.99 19.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 111.533 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 4.7 mtpp 47.64 76.88 0.1 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.258 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 4' ' ' LYS . 30.8 m -145.05 129.15 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.467 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.2 m-85 -96.3 143.06 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -143.64 140.79 30.29 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.115 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.48 144.85 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.642 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.04 149.81 52.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.895 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.848 0.356 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.755 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-30 -85.36 157.49 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 51' ' ' THR . 20.3 mttt -130.85 134.99 47.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.897 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 17.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.708 ' HB ' HG23 ' A' ' 53' ' ' THR . 24.7 mm -137.94 116.36 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.19 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.9 mp -100.25 133.41 44.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.99 0.424 . . . . 0.0 111.679 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -132.37 96.37 3.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.617 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.92 ' CD1' HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.708 0.29 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HB3' HD13 ' A' ' 7' ' ' LEU . 4.6 mm-40 -135.96 157.04 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.797 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -122.7 162.16 22.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.966 0.413 . . . . 0.0 111.39 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -167.04 142.98 4.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.637 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.755 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.0 pt -138.34 142.33 35.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.947 0.403 . . . . 0.0 111.512 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.676 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 35.8 mmtt -143.14 104.02 4.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.477 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -81.53 108.34 15.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.144 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.62 -174.77 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 p -95.95 -30.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -106.31 -148.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.449 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -133.43 -42.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 111.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.54 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.99 -26.95 20.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.614 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.7 mm -68.54 -41.23 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.792 0.33 . . . . 0.0 110.779 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -68.14 -48.54 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.587 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -52.62 -32.75 43.26 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.576 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.609 ' O ' HD23 ' A' ' 32' ' ' LEU . 18.5 mttt -63.67 -46.36 85.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.743 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.609 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.8 -33.06 65.99 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 121.916 0.865 . . . . 0.0 111.166 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.676 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.92 -39.9 87.49 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.192 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 8.9 ptmt -79.46 -21.23 45.71 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.679 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -57.5 -57.76 11.24 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.779 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -79.63 -36.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -56.75 -35.57 68.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 110.104 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -76.44 -34.91 58.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.585 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -72.64 -31.05 64.82 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.292 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HG3' HG13 ' A' ' 33' ' ' ILE . 10.2 mttm -80.54 -55.83 4.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.203 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.92 HG21 ' CD1' ' A' ' 9' ' ' LEU . 10.7 t -139.24 -159.13 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.223 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 39' ' ' VAL . 13.1 p -166.69 30.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.722 0.296 . . . . 0.0 111.586 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -156.75 122.49 4.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.3 154.81 7.59 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.858 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 55' ' ' THR . 3.9 m -78.72 114.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 110.528 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.0 m95 -85.57 131.44 34.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.431 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.3 p -145.73 148.69 33.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 37.6 t80 -138.64 142.81 39.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.398 . . . . 0.0 111.31 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -110.49 136.09 50.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.447 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -89.97 -30.11 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.13 -35.2 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -128.78 0.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 8.1 mttt 54.42 70.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.069 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 4' ' ' LYS . 84.6 m -143.95 127.41 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.306 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.85 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 m-85 -94.57 142.56 27.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.378 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.708 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -143.67 140.68 30.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 -179.294 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 130.48 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.629 178.646 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.764 ' O ' HG22 ' A' ' 42' ' ' VAL . 17.9 m -122.54 134.44 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.122 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.89 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.476 0.179 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.698 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.7 m-30 -94.93 159.02 15.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 51' ' ' THR . 6.0 tttt -134.83 137.72 43.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.997 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.911 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.5 tp -120.15 144.01 47.9 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.155 0.502 . . . . 0.0 111.822 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.658 HD12 ' C ' ' A' ' 5' ' ' LEU . 4.0 mp -135.71 116.58 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.772 176.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 14' ' ' GLU . 4.5 mp -102.87 136.24 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 111.886 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -135.25 71.91 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.514 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 9' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.468 0.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.748 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.553 0.216 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.833 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -109.04 157.1 19.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.01 159.31 25.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.148 0.499 . . . . 0.0 111.755 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.18 143.14 6.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.326 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.698 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.9 pp -138.61 142.9 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.095 0.474 . . . . 0.0 111.692 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.668 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -143.3 104.84 4.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 108.36 14.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.271 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.66 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -91.93 -29.71 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -101.61 -149.2 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.545 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -138.06 -42.64 0.52 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.539 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.04 -28.51 17.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.562 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.78 -40.53 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.54 -48.71 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.598 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -52.29 -33.95 44.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.555 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.4 mttt -62.35 -46.51 88.33 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.806 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -73.41 -33.48 65.0 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.936 0.874 . . . . 0.0 111.227 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CB ' HD22 ' A' ' 5' ' ' LEU . 19.8 m-30 -66.56 -40.73 89.17 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.191 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.28 -21.28 50.01 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.664 176.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -57.92 -56.6 19.91 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.489 ' O ' HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.53 -35.88 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 179.232 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -61.71 -33.17 73.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.92 0.39 . . . . 0.0 110.364 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -78.75 -31.98 46.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.808 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.91 -38.08 54.18 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.679 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -65.64 -55.9 15.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.96 -163.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.532 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 40' ' ' GLU . 1.3 t -142.78 -179.35 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.758 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.619 ' H ' HG12 ' A' ' 39' ' ' VAL . 9.3 mt-10 63.15 124.41 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.86 0.362 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.0 147.91 4.93 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.77 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 55' ' ' THR . 3.3 m -78.66 104.67 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.324 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -79.83 120.21 23.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.283 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.39 156.95 46.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.2 t80 -138.54 142.54 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -108.12 136.11 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -92.04 -28.91 16.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.02 -32.13 32.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.662 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -141.04 14.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 1.1 mptt 47.56 77.39 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 4' ' ' LYS . 72.7 m -147.3 126.12 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.042 0.449 . . . . 0.0 111.489 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.868 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -93.18 142.83 26.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.926 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 m -143.91 141.64 30.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.231 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 127.32 74.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 178.471 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -114.04 133.43 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 111.084 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.003 0.43 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.661 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -91.85 153.8 19.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' CB ' HG23 ' A' ' 51' ' ' THR . 7.9 mttp -129.33 134.18 47.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 111.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.875 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.8 tp -120.07 143.88 47.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.373 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.694 HD12 ' C ' ' A' ' 5' ' ' LEU . 4.1 mp -140.6 116.21 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.575 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.6 mp -97.1 131.44 43.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.428 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.403 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -116.75 126.06 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.563 -179.478 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.837 HD11 HG23 ' A' ' 38' ' ' THR . 4.9 mp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.623 0.249 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.633 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -139.79 157.02 46.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.65 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.36 160.47 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.266 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.875 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.7 142.88 8.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.62 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.5 pp -139.25 139.09 40.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.453 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -141.33 109.21 5.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.318 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.83 116.61 14.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.35 174.1 1.04 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.25 -34.69 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 89.98 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.334 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.26 -32.14 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.02 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.3 -26.48 64.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.459 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 mm -74.16 -39.44 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.617 0.246 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.68 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -40.27 78.85 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.302 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -62.88 -32.23 73.43 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.488 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.49 -35.91 82.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.317 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.713 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.6 m-85 -87.14 -36.12 18.24 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.896 0.855 . . . . 0.0 110.888 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 15.7 m-30 -63.28 -39.25 94.05 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.994 -1.457 . . . . 0.0 107.239 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -83.66 -21.69 32.37 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.783 177.259 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD23 ' CD1' ' A' ' 29' ' ' TYR . 18.4 tp -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.692 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.782 HD11 ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -79.75 -39.19 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 178.606 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -54.8 -32.12 59.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.051 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -78.74 -32.7 46.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.011 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.62 34.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.939 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.782 ' CG ' HD11 ' A' ' 33' ' ' ILE . 3.8 mmtm -93.92 -55.86 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.837 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -80.99 -178.59 6.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.075 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 40' ' ' GLU . 11.5 p -122.33 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.486 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' HG13 ' A' ' 39' ' ' VAL . 34.8 tt0 178.33 140.82 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.079 0.466 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.36 -177.09 40.89 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.129 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 55' ' ' THR . 16.8 m -78.51 105.71 8.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.069 0.461 . . . . 0.0 110.327 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 6.9 m95 -81.59 134.56 35.51 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.52 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -146.94 153.58 40.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.724 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 t80 -138.77 142.61 38.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.864 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.9 136.37 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.54 -26.1 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HG2' HG23 ' A' ' 49' ' ' ILE . 63.3 tt0 -44.35 -53.49 6.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.387 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.711 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.6 25.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.647 0.26 . . . . 0.0 111.118 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 3.7 mptt 54.92 87.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.264 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.474 HG23 ' CB ' ' A' ' 4' ' ' LYS . 1.5 m -145.02 120.38 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.379 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.824 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-85 -94.35 140.57 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.223 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -143.76 141.92 30.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.943 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.521 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 145.45 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -131.21 128.43 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 121.133 0.492 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.629 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.5 m-30 -106.72 152.91 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.034 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -128.68 135.41 49.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.881 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.6 tp -119.98 144.07 47.69 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 112.075 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 5' ' ' LEU . 37.2 mm -135.51 116.11 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.748 HD22 ' HD3' ' A' ' 37' ' ' LYS . 1.2 mp -102.43 131.23 49.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.104 0.478 . . . . 0.0 111.752 -178.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.53 108.03 8.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.702 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.593 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.3 pt? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.46 0.171 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.544 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.1 tm-20 -116.14 157.07 25.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.82 162.05 19.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.352 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.881 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -159.54 143.06 14.51 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.797 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.677 ' O ' HD12 ' A' ' 17' ' ' ILE . 1.4 pp -138.49 134.89 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.568 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.785 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.99 134.05 29.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -106.05 108.76 20.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.338 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.13 178.65 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.507 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.11 -35.32 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.497 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.14 -150.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -115.18 -28.7 6.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.692 0.282 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.556 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.56 -29.91 61.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.826 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.44 -45.81 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.838 0.352 . . . . 0.0 111.302 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.676 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.86 -45.91 80.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.707 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -54.22 -31.77 54.09 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.732 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 10.7 mtmm -65.1 -42.77 93.72 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.203 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.579 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.6 m-85 -81.78 -35.65 29.32 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.854 0.835 . . . . 0.0 111.246 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.785 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -66.06 -34.43 78.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.161 -1.381 . . . . 0.0 107.557 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.4 ptmt -89.85 -21.45 22.55 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.838 176.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.579 HD23 ' CD1' ' A' ' 29' ' ' TYR . 49.8 tp -59.85 -53.1 61.89 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 120.371 -0.531 . . . . 0.0 109.925 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 36' ' ' ALA . 1.4 tp -82.47 -37.92 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.866 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' HB3' ' HZ2' ' A' ' 43' ' ' TRP . . . -57.83 -33.69 68.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.087 0.47 . . . . 0.0 109.992 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -77.64 -31.84 52.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.655 178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.496 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -77.53 -34.01 54.09 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.748 ' HD3' HD22 ' A' ' 7' ' ' LEU . 5.2 mtpm? -71.03 -55.83 7.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.061 0.457 . . . . 0.0 110.258 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -168.12 2.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.446 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 m -153.38 45.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.674 0.273 . . . . 0.0 111.562 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.46 127.95 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.901 0.381 . . . . 0.0 111.199 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.4 157.64 8.51 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.616 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG23 ' OG1' ' A' ' 55' ' ' THR . 5.1 m -78.7 110.92 14.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.028 0.442 . . . . 0.0 110.486 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.537 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.5 m95 -84.33 129.38 34.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.387 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -147.08 154.22 40.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 14.7 t80 -138.52 142.76 39.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.7 136.23 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -95.72 -28.57 14.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -32.52 35.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.62 16.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 49.04 80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.817 0.341 . . . . 0.0 111.163 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 4' ' ' LYS . 50.2 m -148.08 126.24 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.039 0.447 . . . . 0.0 111.468 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.802 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-85 -93.37 142.23 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.31 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.8 m -143.91 137.5 27.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.995 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.47 123.11 66.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.56 ' OG1' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -104.57 140.71 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.665 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.394 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.933 0.397 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.65 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.6 m-30 -103.04 151.99 21.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.294 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 51' ' ' THR . 4.5 mtpp -131.71 137.27 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.937 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.4 tp -120.01 143.89 47.81 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.2 0.524 . . . . 0.0 111.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.756 HD13 ' O ' ' A' ' 5' ' ' LEU . 27.6 mm -140.13 116.4 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.352 176.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.9 mp -96.84 133.35 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.939 0.399 . . . . 0.0 111.164 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -136.03 84.06 2.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.124 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.825 HD11 HG21 ' A' ' 38' ' ' THR . 2.3 mm? . . . . . 0 N--CA 1.467 0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.804 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pttp . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 121.278 0.561 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -133.96 157.07 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.691 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.3 162.21 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.473 . . . . 0.0 111.543 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.937 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.72 143.01 4.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.305 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -138.66 143.99 30.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 0.0 111.677 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.698 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 10.9 mmtt -144.24 121.34 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.193 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.08 113.51 25.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.31 175.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.303 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.48 -31.15 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.82 90.24 5.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.446 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.605 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.42 -39.22 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.767 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.99 -25.87 57.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.439 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.9 mm -71.45 -39.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.698 0.285 . . . . 0.0 110.712 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.541 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.02 -46.15 75.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.7 pt-20 -57.03 -31.34 65.05 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.8 -39.41 93.54 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.072 178.866 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.63 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -81.42 -37.09 28.64 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-O 121.958 0.885 . . . . 0.0 110.688 179.195 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CB ' HD22 ' A' ' 5' ' ' LEU . 18.3 m-30 -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.985 -1.461 . . . . 0.0 107.307 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.4 ptmm? -80.17 -21.55 42.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.788 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.63 HD23 ' CE1' ' A' ' 29' ' ' TYR . 26.2 tp -65.56 -47.82 74.5 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 120.466 -0.494 . . . . 0.0 109.756 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.52 HG13 ' HG3' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -86.98 -35.09 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.759 178.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -37.52 83.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -74.61 -33.94 62.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.569 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.04 -23.97 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.76 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.52 ' HG3' HG13 ' A' ' 33' ' ' ILE . 12.0 mttm -87.26 -56.05 3.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.061 0.458 . . . . 0.0 110.739 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 9' ' ' LEU . 8.6 t -115.23 -158.88 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.917 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.575 HG22 ' HG2' ' A' ' 40' ' ' GLU . 12.1 p -104.36 -51.25 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.575 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER 165.59 148.37 0.02 OUTLIER 'General case' 0 C--O 1.231 0.105 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.86 -162.69 11.4 Favored Glycine 0 CA--C 1.517 0.215 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.676 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 42' ' ' VAL . 31.4 m -78.56 104.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.134 0.492 . . . . 0.0 110.016 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.9 m95 -83.24 132.86 35.03 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.132 -178.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.9 p -147.17 151.74 37.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.59 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.9 t80 -138.61 142.57 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' HD11 ' A' ' 49' ' ' ILE . 4.3 mttp -108.38 136.18 48.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.601 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.85 -28.93 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -34.05 27.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.482 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.669 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.49 13.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.651 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 9.8 mttt 47.85 75.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.293 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 4' ' ' LYS . 71.9 m -145.2 126.63 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 111.191 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.823 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -93.25 142.52 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 m -143.68 140.58 30.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.957 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.507 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.44 145.55 30.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.551 178.574 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.97 150.15 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.343 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.494 HG21 ' HD3' ' A' ' 50' ' ' LYS . 7.7 m . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.834 0.349 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 m -65.91 102.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.578 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 4.4 m-30 -84.67 161.14 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 51' ' ' THR . 4.0 ttpp -134.84 134.1 40.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.878 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 18.6 tp -119.89 143.99 47.65 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.233 0.539 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.711 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.6 mm -139.15 116.16 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.221 176.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.754 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -100.94 130.54 46.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 110.914 -178.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.9 136.85 54.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.173 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.78 HD11 HG23 ' A' ' 38' ' ' THR . 6.3 mp -128.89 -51.36 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.711 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.26 -59.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.719 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -128.08 -67.18 0.82 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.2 138.97 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -121.23 132.5 54.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.754 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.7 mm-40 -98.28 157.13 16.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.727 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -125.55 161.97 25.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.012 0.434 . . . . 0.0 111.6 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.878 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.17 143.0 8.86 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.459 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -136.51 141.79 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.959 0.409 . . . . 0.0 111.515 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.682 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.9 mmtt -144.41 121.06 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.327 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.81 111.47 23.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.219 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.61 143.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.14 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.17 -32.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.938 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -77.36 86.97 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.554 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -45.17 -39.47 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.559 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.24 -25.61 54.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.396 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.0 mm -71.25 -40.61 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.726 0.298 . . . . 0.0 110.73 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.06 -47.96 75.48 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.098 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -54.8 -34.87 63.24 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.3 mmtt -61.25 -36.73 80.78 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.163 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -83.95 -35.74 23.77 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.947 0.879 . . . . 0.0 110.918 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.701 ' CB ' HD22 ' A' ' 5' ' ' LEU . 21.8 m-30 -63.75 -39.28 93.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.013 -1.449 . . . . 0.0 107.588 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 6.4 ptpt -81.37 -21.53 38.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.655 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 8.6 tp -66.18 -46.23 78.09 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.766 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.76 -32.6 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.742 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -60.69 -32.0 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.071 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 1.2 t-20 -84.09 -32.24 24.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.013 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.02 -39.39 50.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.71 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.766 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.85 -56.0 3.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.78 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -84.82 -165.68 1.26 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 40' ' ' GLU . 4.4 m -128.91 -51.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.631 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' H ' HG23 ' A' ' 39' ' ' VAL . 2.0 pt-20 175.25 139.75 0.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.119 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.66 -168.89 30.47 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.048 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 55' ' ' THR . 30.9 m -78.66 107.86 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 0.0 110.497 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.0 m95 -83.47 133.27 34.91 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.508 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 p -146.96 150.17 34.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.668 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.528 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 29.4 t80 -138.53 142.54 39.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 136.09 48.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.603 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -92.52 -28.69 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -32.41 37.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.456 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.24 15.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.942 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HD3' HG21 ' A' ' 1' ' ' THR . 0.0 OUTLIER 47.98 77.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 111.236 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.8 m -143.17 127.66 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 111.379 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.821 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-85 -97.94 141.19 31.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.04 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -143.78 139.93 29.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.073 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.502 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 144.18 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 178.661 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.19 129.51 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.07 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.881 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.758 0.313 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.82 119.63 30.37 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -88.9 155.66 19.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 51' ' ' THR . 51.4 mttp -131.53 133.0 44.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.111 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.856 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.5 tp -119.93 143.94 47.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.311 0.577 . . . . 0.0 112.031 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 5' ' ' LEU . 39.4 mm -138.62 116.37 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.907 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.1 mp -102.35 130.38 49.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.076 0.465 . . . . 0.0 111.507 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.26 110.55 11.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.3 pt? -106.12 -27.83 10.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.39 -78.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.817 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -114.88 -35.04 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.798 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -78.53 139.92 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.972 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 135.93 53.62 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.861 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -124.16 157.29 35.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -123.27 162.42 22.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.856 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.37 143.11 4.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.945 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.3 pt -137.54 142.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.425 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 34.4 mmtt -143.6 104.06 4.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.614 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.76 112.4 8.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.56 172.4 1.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.062 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.2 p -102.65 -43.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' N ' HG13 ' A' ' 21' ' ' VAL . 23.5 t0 -66.43 88.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.34 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.58 -30.81 0.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.977 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.87 -27.97 71.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.514 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.1 mm -71.16 -40.23 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.63 -46.78 74.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -56.08 -31.45 63.23 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -64.4 -39.74 94.43 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -81.63 -37.67 27.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 122.03 0.919 . . . . 0.0 110.782 179.253 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.672 ' HZ ' ' HB3' ' A' ' 3' ' ' TYR . 19.7 m-30 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.455 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 12.3 ptpt -80.14 -21.52 43.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.429 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CE1' ' A' ' 29' ' ' TYR . 13.1 tp -67.32 -44.17 79.8 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.92 -33.53 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.88 -28.51 67.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.013 0.435 . . . . 0.0 110.149 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.66 -32.46 18.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.098 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.57 57.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.779 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.1 mmtp -93.84 -55.86 3.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -164.14 1.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -61.58 2.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.8 156.15 0.05 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.358 0.599 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.7 -155.84 10.83 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.866 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 55' ' ' THR . 3.0 m -78.59 104.6 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 110.146 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' HA ' HG23 ' A' ' 54' ' ' VAL . 11.2 m95 -82.81 132.23 35.17 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.813 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -146.97 150.35 34.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.657 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.0 t80 -138.61 142.71 39.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.0 111.345 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' HD3' HD11 ' A' ' 49' ' ' ILE . 10.4 mtpt -107.51 136.15 47.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -92.62 -28.68 16.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.044 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -34.66 55.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.672 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.29 12.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 49.9 78.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 111.265 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 4' ' ' LYS . 62.3 m -147.14 127.07 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.827 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -96.41 142.94 27.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.644 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -143.75 138.11 28.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.084 -179.309 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 143.67 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.55 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.02 150.37 52.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.857 179.644 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.341 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.871 0.367 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.0 m -71.82 119.07 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.609 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.5 m-30 -101.26 152.95 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 1.9 mptt -130.4 135.6 48.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.095 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.924 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 17.3 tp -119.86 143.77 47.73 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.186 0.517 . . . . 0.0 111.656 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.811 HD13 ' O ' ' A' ' 5' ' ' LEU . 25.8 mm -137.78 116.41 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.226 176.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.4 mp -100.51 132.05 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.995 0.426 . . . . 0.0 111.4 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.81 106.82 8.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.7 pt? -114.87 -21.07 10.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.86 -77.77 0.06 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -131.48 -60.73 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.88 122.2 12.36 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 128.86 45.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 7' ' ' LEU . 47.4 tp10 -101.04 157.0 17.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.35 162.25 23.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.072 0.463 . . . . 0.0 111.69 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.924 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 143.04 6.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.437 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -137.99 141.96 37.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.945 0.402 . . . . 0.0 111.616 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.689 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 5.7 mmtt -144.15 123.3 12.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.331 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.21 113.0 24.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.32 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.88 141.51 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.99 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.33 -32.24 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.197 0.523 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.4 88.72 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.496 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.601 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.14 -33.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.715 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -58.39 -28.82 62.53 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.286 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.75 -39.83 80.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.647 0.261 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.93 -46.79 73.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.286 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.0 pt-20 -54.92 -33.52 62.25 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.605 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 14.7 mtmt -61.98 -45.29 94.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.972 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -75.78 -35.93 59.95 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.855 0.836 . . . . 0.0 111.203 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.689 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 18.7 m-30 -63.59 -40.65 97.49 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.106 -1.406 . . . . 0.0 107.626 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 8.8 ptpt -80.82 -21.61 40.69 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.528 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.2 tp -67.51 -45.19 76.52 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.777 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -86.82 -31.41 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.79 -31.04 69.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.113 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -32.67 20.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.036 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -74.89 -38.63 61.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.825 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.777 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.0 mmmt -93.98 -55.88 3.06 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.581 ' OG1' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -96.6 -169.14 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.689 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.76 -63.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.627 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 1.1 tt0 172.14 143.46 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.999 0.428 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -161.84 -157.1 8.69 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.062 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.9 m -78.55 104.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.055 0.455 . . . . 0.0 110.451 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.4 m95 -81.91 132.5 35.27 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -146.94 148.32 31.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.7 t80 -138.52 142.62 39.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.969 0.414 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.2 136.44 52.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.813 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -86.1 -26.39 25.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.654 ' HG3' HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -42.55 -41.31 2.96 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.526 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.654 HD13 ' HG3' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -146.6 22.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 7.7 mptt 51.48 80.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -141.36 128.57 20.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 111.456 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.858 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-85 -102.46 140.33 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.045 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -143.91 141.18 30.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.171 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 144.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 178.518 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.92 151.88 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.652 HG21 ' HD2' ' A' ' 50' ' ' LYS . 1.2 m . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.819 0.342 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 m -73.26 118.46 16.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.637 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.7 m-30 -100.13 160.05 14.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -133.73 136.71 44.81 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.848 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.3 tp -120.19 143.82 48.04 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.918 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 5' ' ' LEU . 20.6 mm -137.28 116.42 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.987 176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.2 mp -105.76 135.79 46.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.255 0.55 . . . . 0.0 111.94 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.99 108.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.393 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.776 HD21 ' HB3' ' A' ' 12' ' ' ALA . 2.3 pt? -108.34 -27.81 9.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -176.19 -80.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.987 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -126.24 25.41 6.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.237 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.776 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -131.94 112.56 12.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.315 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -97.67 122.14 40.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.945 0.402 . . . . 0.0 110.496 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.659 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -117.41 156.97 27.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.884 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 162.31 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.848 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.89 143.02 4.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.032 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.2 pt -137.31 142.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.683 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 19.6 mmtt -143.44 136.87 28.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.578 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.79 108.49 19.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.771 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.09 170.17 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.398 . . . . 0.0 111.382 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -80.55 -30.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -110.25 -149.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -128.24 -38.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.249 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.94 -24.87 21.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.7 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.84 -44.47 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -63.96 -45.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.464 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.2 pt-20 -56.8 -32.9 66.16 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.529 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -63.29 -34.32 77.44 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.923 178.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.58 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.03 -36.07 19.95 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-O 121.994 0.902 . . . . 0.0 110.798 178.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CB ' HD22 ' A' ' 5' ' ' LEU . 20.8 m-30 -63.01 -39.9 96.17 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 113.966 -1.47 . . . . 0.0 107.583 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.4 ptmt -80.66 -21.43 41.41 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.656 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.0 tp -66.99 -45.15 78.49 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.93 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.565 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -89.17 -35.32 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.753 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.68 -30.35 68.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.065 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -87.77 -31.92 19.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 -28.24 57.08 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.787 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.565 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -90.86 -48.6 6.92 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.489 179.588 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.6 p -151.6 -150.83 0.36 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.495 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.648 HG22 ' H ' ' A' ' 40' ' ' GLU . 2.4 p -173.0 178.56 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 121.33 -0.148 . . . . 0.0 110.992 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.648 ' H ' HG22 ' A' ' 39' ' ' VAL . 2.1 tt0 62.6 136.16 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.169 0.509 . . . . 0.0 111.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.16 157.19 7.05 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.787 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.4 m -78.67 105.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.167 0.508 . . . . 0.0 110.301 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.2 m95 -80.26 124.69 29.04 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.515 -178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 p -146.94 160.73 41.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.776 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 18.6 t80 -138.49 137.83 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -102.5 136.2 42.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -90.91 -26.55 19.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -45.71 -32.66 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.34 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.646 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -152.32 22.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 111.676 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.652 ' HD2' HG21 ' A' ' 1' ' ' THR . 5.1 mttp 49.28 78.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 4' ' ' LYS . 55.0 m -145.9 123.12 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.426 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.838 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -89.95 142.24 27.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.918 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -143.81 142.02 30.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.231 -0.441 . . . . 0.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.42 123.38 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.28 178.376 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.488 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -104.83 140.92 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.11 -179.707 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.425 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.735 0.302 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m -91.33 126.85 36.55 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.789 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.721 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.2 m-30 -110.9 154.98 23.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 51' ' ' THR . 3.4 mppt? -131.62 138.54 48.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.949 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.7 tp -120.19 144.01 47.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.646 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.73 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.7 mp -136.93 116.25 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.235 176.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.7 mp -98.99 132.16 44.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.075 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.81 103.25 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -126.84 -172.21 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.59 66.26 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.671 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB2' HD21 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -172.26 -76.26 0.01 OUTLIER 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.824 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.01 -167.75 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.8 144.88 32.8 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.0 mp0 -126.35 157.12 39.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.559 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -121.22 159.82 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.757 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.949 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.56 142.96 6.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -138.58 143.75 31.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.961 0.41 . . . . 0.0 111.632 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.703 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.3 mmtt -141.36 123.63 15.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.408 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 108.61 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.703 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.01 163.18 39.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.57 -29.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.527 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -97.22 -146.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.448 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -139.52 -43.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.15 -25.21 17.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.12 -43.2 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.845 0.355 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.28 -47.41 76.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.417 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -54.77 -33.19 61.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.866 ' O ' HD13 ' A' ' 32' ' ' LEU . 2.7 mmtt -63.15 -36.52 83.9 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.001 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.681 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.72 -34.68 24.85 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.957 0.884 . . . . 0.0 110.976 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.3 m-30 -64.82 -41.35 95.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.007 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 20.6 ptmt -76.24 -21.4 56.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.799 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -61.12 -56.78 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.001 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.583 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -80.35 -36.38 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.716 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -58.79 -38.1 77.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.905 0.383 . . . . 0.0 110.159 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.607 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.9 -28.56 58.13 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.509 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -82.4 -55.98 4.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.627 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.3 p -112.3 -164.55 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.783 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.47 16.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 168.67 153.19 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.293 0.568 . . . . 0.0 110.93 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 164.4 13.48 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.374 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.6 m -78.7 115.64 21.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.943 0.402 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 6.5 m95 -91.57 133.33 35.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.619 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -147.14 154.37 41.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 20.2 t80 -138.53 142.49 39.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.824 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -109.53 136.11 49.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -91.98 -28.45 17.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.49 -29.08 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.42 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.644 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.67 17.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.77 72.4 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.191 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.7 m -143.24 133.01 23.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 0.0 111.376 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.843 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -97.82 143.46 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.35 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.4 m -143.6 141.76 30.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.905 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.42 145.59 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.792 178.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -129.29 145.26 51.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.977 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.958 0.408 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.09 118.36 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.542 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.5 m-30 -101.94 151.8 21.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 51' ' ' THR . 13.1 mtmt -127.95 135.22 49.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.911 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.7 tp -120.2 143.82 48.04 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.374 0.607 . . . . 0.0 112.023 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 5' ' ' LEU . 33.5 mm -137.1 116.21 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.914 176.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.6 mp -100.57 132.55 45.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 111.701 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.25 106.52 7.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.716 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.855 ' CD1' HG21 ' A' ' 38' ' ' THR . 2.3 pt? -109.24 26.56 10.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.65 34.78 7.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -150.55 -76.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.748 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.13 175.39 5.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.21 128.16 53.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.825 ' HB3' HD13 ' A' ' 7' ' ' LEU . 5.6 mm-40 -117.35 157.06 26.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.71 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -126.47 162.32 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.254 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.45 143.05 4.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.943 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.492 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 3.4 pt -142.29 134.06 26.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.142 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.792 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.78 131.99 26.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.938 0.399 . . . . 0.0 111.22 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.49 108.52 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.84 169.12 17.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.91 -30.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.047 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.05 -151.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -120.88 -32.91 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 111.351 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.553 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -54.56 -29.67 48.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.727 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.86 -44.81 92.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.9 0.381 . . . . 0.0 111.345 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.34 -45.82 78.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.769 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -54.27 -31.45 53.74 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 10.4 mtmt -64.6 -45.01 88.76 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.11 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.638 ' CE1' HD23 ' A' ' 32' ' ' LEU . 2.2 m-85 -79.73 -36.03 38.0 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.851 0.834 . . . . 0.0 111.28 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.792 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -64.8 -34.22 77.84 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.148 -1.387 . . . . 0.0 107.831 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 15.2 ptpt -89.69 -21.38 22.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.667 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' CE1' ' A' ' 29' ' ' TYR . 26.5 tp -63.92 -46.5 84.49 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.945 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.626 HD11 ' HG2' ' A' ' 37' ' ' LYS . 1.4 tp -86.87 -36.62 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.95 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB3' ' HZ2' ' A' ' 43' ' ' TRP . . . -60.61 -31.75 70.91 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 110.222 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.75 -31.77 25.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.963 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.0 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.642 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.626 ' HG2' HD11 ' A' ' 33' ' ' ILE . 7.1 mmtt -55.47 -55.8 27.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.855 HG21 ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -148.06 -155.97 0.68 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.653 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.745 HG13 ' CG ' ' A' ' 40' ' ' GLU . 2.7 p -166.24 -179.53 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.745 ' CG ' HG13 ' A' ' 39' ' ' VAL . 5.6 mt-10 62.92 127.21 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.78 158.67 8.39 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.553 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG23 ' OG1' ' A' ' 55' ' ' THR . 3.2 m -78.71 104.71 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.004 0.43 . . . . 0.0 110.645 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 4.9 m95 -78.89 127.77 32.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.103 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -146.82 155.35 42.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.531 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 18.3 t80 -138.61 142.69 39.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.953 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -104.97 136.17 44.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.654 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.1 -28.29 15.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.6 -35.04 53.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.689 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.2 14.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 50.72 80.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 4' ' ' LYS . 90.0 m -148.13 126.34 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 111.484 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.803 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-85 -93.51 142.39 27.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.165 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 m -143.89 138.15 28.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.089 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.63 125.19 70.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 178.438 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.433 ' OG1' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -108.24 139.48 42.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.269 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.563 HG21 ' HD3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.769 0.319 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 2' ' ' THR . 14.0 t -72.51 119.99 17.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.687 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-30 -103.74 154.42 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 51' ' ' THR . 1.6 mptm? -131.44 135.29 47.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.941 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.9 tp -119.98 143.83 47.82 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 111.812 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 5' ' ' LEU . 22.9 mm -137.96 116.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.154 176.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.765 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.3 mp -101.68 135.49 43.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.769 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.16 105.57 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.665 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.9 pt? -113.29 -23.26 10.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -157.11 -79.22 0.08 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -130.0 -61.21 1.0 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.938 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.37 126.72 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.039 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 135.97 39.0 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.715 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.765 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.0 mm-40 -104.02 157.06 17.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.492 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -122.97 161.6 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.016 0.436 . . . . 0.0 111.56 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.941 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.81 142.87 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.474 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.705 ' O ' HD12 ' A' ' 17' ' ' ILE . 1.6 pp -137.98 142.53 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 0.0 111.606 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.676 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -144.01 136.85 27.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.218 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.41 116.07 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.75 148.78 0.56 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -73.45 -30.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -86.7 91.03 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.585 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.553 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.36 -34.51 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.662 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.574 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.87 -26.74 55.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' A' ' 28' ' ' LYS . 19.3 mm -70.12 -38.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.68 0.276 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.607 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.46 -45.37 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.338 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.9 pt-20 -56.56 -33.2 65.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.588 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 7.4 mtmm -63.07 -43.19 99.26 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.127 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.585 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -77.6 -34.88 53.34 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-O 121.874 0.845 . . . . 0.0 111.098 179.358 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CB ' HD22 ' A' ' 5' ' ' LEU . 18.5 m-30 -64.65 -38.48 91.15 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.731 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -84.8 -21.36 29.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.766 -1.106 . . . . 0.0 108.661 176.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 6.2 tp -65.98 -45.25 82.34 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.573 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.86 -34.94 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.775 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -57.96 -30.68 66.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 110.079 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.66 -33.03 18.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.948 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.93 -27.12 60.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.802 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.573 ' CG ' HD11 ' A' ' 33' ' ' ILE . 4.0 mmtm -92.94 -50.87 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.671 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 t -148.72 -151.68 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 40' ' ' GLU . 2.1 p -172.92 179.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.024 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.662 ' H ' HG22 ' A' ' 39' ' ' VAL . 12.5 tp10 62.61 135.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.206 0.527 . . . . 0.0 111.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.21 156.3 6.75 Favored Glycine 0 C--N 1.323 -0.157 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.74 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 55' ' ' THR . 5.3 m -78.73 105.44 7.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.046 0.45 . . . . 0.0 110.259 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.59 ' HA ' HG23 ' A' ' 54' ' ' VAL . 7.3 m95 -78.56 125.11 28.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.374 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -146.94 157.54 43.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 8.6 t80 -138.5 124.53 20.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -99.64 136.33 39.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 49' ' ' ILE . 11.5 t0 -62.56 -99.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.35 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 50.49 -81.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.716 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -134.93 29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.163 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HD3' HG21 ' A' ' 1' ' ' THR . 0.0 OUTLIER 62.33 93.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.085 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 4' ' ' LYS . 66.4 m -149.97 132.85 16.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.83 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.7 m-85 -104.05 143.2 33.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.48 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.8 m -143.89 140.85 29.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.055 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.59 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.37 123.17 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.294 178.412 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.793 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -109.51 130.36 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.858 0.361 . . . . 0.0 111.349 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.77 123.11 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.641 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -103.09 151.47 22.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.084 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 51' ' ' THR . 3.0 tttt -131.87 135.98 47.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.972 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 18.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.244 0.545 . . . . 0.0 112.009 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 5' ' ' LEU . 37.7 mm -139.36 116.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.056 176.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 14' ' ' GLU . 4.6 mp -103.79 141.61 35.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.011 0.434 . . . . 0.0 111.75 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.94 106.75 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.767 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.814 HD21 ' HB3' ' A' ' 12' ' ' ALA . 2.4 pt? -112.4 -37.22 5.04 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.158 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 177.15 94.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.934 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.09 19.95 2.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.68 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.814 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -133.43 113.91 13.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.804 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -103.25 126.36 50.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.187 0.518 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.837 ' HB3' HD13 ' A' ' 7' ' ' LEU . 5.1 tp10 -114.33 144.18 43.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.281 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -109.0 160.06 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 111.516 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.972 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.77 142.86 4.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.465 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 3' ' ' TYR . 2.8 pt -141.74 141.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.699 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.4 mmtt -142.91 105.66 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.283 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.95 122.54 25.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.03 160.46 8.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.43 -28.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.97 -146.03 0.11 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -152.76 -44.69 0.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -53.61 -24.33 24.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.269 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.4 mm -70.05 -42.75 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.745 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.68 -47.88 73.98 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.396 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -53.91 -35.53 61.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.31 -40.58 91.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.166 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.59 -39.41 31.76 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-O 122.02 0.914 . . . . 0.0 110.975 179.315 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.699 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.1 m-30 -60.48 -40.49 91.46 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.729 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 6.3 ptpt -82.0 -21.48 37.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.614 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.621 HD23 ' CE1' ' A' ' 29' ' ' TYR . 24.1 tp -61.95 -46.49 89.06 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.092 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.609 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.1 tp -90.26 -35.59 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.765 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB2' HD21 ' A' ' 7' ' ' LEU . . . -61.26 -28.25 69.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.31 -31.7 18.82 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.831 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.27 -30.35 54.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.729 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.609 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.5 mmmt -91.27 -46.59 7.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.1 -160.47 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.396 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.759 HG13 ' OE2' ' A' ' 40' ' ' GLU . 14.7 p -178.3 35.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.579 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.759 ' OE2' HG13 ' A' ' 39' ' ' VAL . 6.0 mm-40 -149.88 118.0 6.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.9 158.61 9.15 Favored Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.905 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 55' ' ' THR . 3.4 m -78.63 107.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.265 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -78.57 128.19 33.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.444 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -146.88 150.48 35.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.3 t80 -138.53 142.58 39.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -110.97 136.2 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.614 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.27 -28.97 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.984 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.16 -34.96 59.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.668 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -135.1 8.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER 50.64 76.13 0.16 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.353 . . . . 0.0 111.246 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 4' ' ' LYS . 90.7 m -146.25 125.42 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 111.524 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-85 -94.58 141.27 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.914 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -144.04 140.31 29.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.55 137.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.181 178.126 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -128.31 128.01 43.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.979 0.419 . . . . 0.0 111.316 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.786 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.739 0.304 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -74.91 117.53 16.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.013 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.538 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.1 m-30 -99.36 154.35 18.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 51' ' ' THR . 1.0 OUTLIER -128.16 136.22 50.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.938 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -120.06 143.88 47.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 111.675 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 5' ' ' LEU . 27.8 mm -138.52 116.26 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.357 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.8 mp -97.27 131.09 44.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.976 0.417 . . . . 0.0 111.016 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.27 92.94 3.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.2 pt? -111.59 -163.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.457 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -91.17 41.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.016 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' HB2' HD21 ' A' ' 9' ' ' LEU . 3.8 mm100 -141.71 -72.87 0.33 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' H ' HD21 ' A' ' 9' ' ' LEU . . . -153.86 -165.85 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.208 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.33 144.98 36.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.331 0.586 . . . . 0.0 110.471 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.716 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.4 mp0 -132.91 157.06 46.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.86 162.31 24.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.501 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.938 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 142.98 5.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.626 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -140.41 136.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.752 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.58 138.94 31.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.848 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -105.32 119.21 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.21 135.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.199 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.55 -30.31 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.01 91.97 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.559 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -43.83 -30.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.665 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -59.98 -26.83 63.77 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.384 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.2 mm -69.61 -43.52 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.688 0.28 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.24 -44.09 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.576 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -57.16 -31.42 65.38 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.48 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.0 mmtt -65.85 -40.68 91.95 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 m-85 -83.11 -35.12 25.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 121.879 0.847 . . . . 0.0 110.988 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.752 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.9 m-30 -64.25 -34.86 79.09 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.042 -1.435 . . . . 0.0 107.537 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 12.8 ptmt -89.69 -21.38 22.76 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.638 -1.164 . . . . 0.0 108.914 177.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 8.4 tp -64.66 -46.85 80.73 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.811 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -86.32 -35.05 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.859 178.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -59.61 -36.81 77.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -77.43 -31.54 54.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.513 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.473 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -74.83 -30.96 61.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 33' ' ' ILE . 2.5 mttp -81.73 -55.95 4.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 -156.75 0.76 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.137 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.7 p -170.91 43.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 178.4 137.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.048 0.451 . . . . 0.0 111.077 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.34 164.88 11.68 Favored Glycine 0 C--N 1.324 -0.106 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -81.38 115.97 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.266 179.573 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.564 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.2 m95 -89.89 130.99 36.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.69 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.7 p -147.07 155.51 42.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 4.5 t80 -138.64 142.55 39.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -107.21 136.17 47.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -96.15 -28.17 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.9 -31.04 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.665 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.99 18.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 111.46 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 47.41 75.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 111.252 179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.1 m -145.12 127.84 16.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.359 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.826 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 m-85 -93.98 141.76 28.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.353 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -143.84 141.63 30.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.564 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 123.8 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.581 178.652 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.5 m -105.13 144.15 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.131 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.733 0.301 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 m -86.85 130.84 34.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.317 0.58 . . . . 0.0 110.981 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.762 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.7 m-30 -104.69 158.19 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.783 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 51' ' ' THR . 2.4 mtpp -129.09 134.71 48.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.904 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.3 tp -119.89 143.83 47.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 111.689 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 5' ' ' LEU . 25.0 mm -137.05 116.17 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.256 176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.8 mp -100.81 132.75 46.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.152 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.45 97.99 4.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.866 HD22 HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER -123.16 172.81 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.353 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' ' 9' ' ' LEU . 4.1 mmtt -67.61 72.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.996 0.427 . . . . 0.0 110.905 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.429 ' HB2' HD11 ' A' ' 9' ' ' LEU . 2.8 mt-30 -177.68 -76.55 0.01 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.65 -176.96 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.687 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.42 153.21 23.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.761 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.6 tt0 -141.48 157.11 45.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -121.96 162.25 21.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.51 143.16 8.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.822 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.2 pp -141.96 135.09 28.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.793 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -138.68 141.8 39.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -112.09 108.19 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.781 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.54 170.9 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.354 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -76.19 -30.81 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.23 -150.09 0.45 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -117.49 -29.54 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 111.311 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.98 -28.48 60.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.832 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.31 -45.16 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.792 0.33 . . . . 0.0 110.991 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.01 -49.28 65.79 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.725 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 12.5 pt-20 -52.17 -29.12 20.79 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.8 mmpt? -68.16 -41.39 81.62 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.303 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE1' HD23 ' A' ' 32' ' ' LEU . 2.4 m-85 -82.74 -35.38 26.69 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.831 0.824 . . . . 0.0 111.057 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.793 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 14.5 m-30 -64.78 -34.23 77.85 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.572 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -89.69 -21.37 22.76 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.619 -1.173 . . . . 0.0 108.71 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 29' ' ' TYR . 23.2 tp -65.43 -46.99 77.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.032 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.631 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -85.42 -33.61 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -57.72 -30.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.003 0.43 . . . . 0.0 110.094 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -37.01 21.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.658 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -70.58 -31.46 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.461 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.631 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.9 mmtt -93.78 -53.52 3.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.866 HG23 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -117.71 -177.07 3.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 38' ' ' THR . 2.7 m -162.42 40.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.486 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.21 132.19 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.844 0.354 . . . . 0.0 111.341 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.49 160.96 10.04 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.8 m -78.67 113.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.021 0.439 . . . . 0.0 110.377 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 5.8 m95 -84.06 131.54 34.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.699 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.2 p -147.07 151.29 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 13.8 t80 -138.58 142.62 39.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.004 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -108.39 136.17 48.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.655 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -94.44 -28.9 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.55 -31.12 45.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -140.74 15.11 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.621 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mmmt 48.31 74.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.7 m -142.93 129.32 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.048 0.451 . . . . 0.0 111.629 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.831 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 m-85 -97.84 141.39 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.072 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.465 HG23 ' HB ' ' A' ' 6' ' ' ILE . 4.3 m -143.9 139.32 29.14 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.093 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.51 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.6 124.41 69.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.536 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.421 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -105.2 151.22 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.075 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 2' ' ' THR . 13.5 t -94.93 121.88 37.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.769 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.674 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.2 m-85 -108.95 151.71 25.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 51' ' ' THR . 1.9 tttt -132.26 138.81 48.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.739 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.897 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.7 tp -120.08 143.8 47.93 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.242 0.544 . . . . 0.0 111.913 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.761 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.3 mp -135.3 116.46 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.797 176.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -106.05 136.14 46.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.468 . . . . 0.0 111.824 -178.216 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.16 115.65 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.622 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -123.36 -39.26 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' HB2' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -175.15 95.2 0.07 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.74 0.305 . . . . 0.0 111.222 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 51.22 22.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.721 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.45 113.28 12.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -103.93 121.98 44.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.092 0.472 . . . . 0.0 110.684 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.638 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -111.77 156.88 21.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.445 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.53 159.72 27.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.093 0.473 . . . . 0.0 111.595 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.04 142.92 7.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.516 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.7 pp -137.76 145.03 29.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.083 0.468 . . . . 0.0 111.52 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.7 mmtt -142.26 121.12 12.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.5 115.33 25.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.177 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.69 177.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.67 -30.46 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.008 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.29 92.72 7.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.566 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -43.09 -40.39 3.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.874 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.94 -24.92 51.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.5 mm -71.5 -40.51 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.44 -46.71 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.212 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -56.31 -32.06 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.59 -35.57 81.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.126 178.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.645 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -85.7 -33.74 21.44 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 121.904 0.859 . . . . 0.0 110.997 179.197 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.07 -39.78 90.34 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.52 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -78.64 -21.66 48.04 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.604 176.817 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.645 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 3.0 tp -69.07 -47.38 65.44 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.763 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -84.43 -32.41 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -59.48 -31.04 68.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 110.04 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -84.4 -33.41 23.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.08 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -76.6 -37.61 56.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.81 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.763 ' CG ' HD11 ' A' ' 33' ' ' ILE . 5.7 mmtt -93.83 -55.9 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.749 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -91.81 -160.93 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 40' ' ' GLU . 3.2 m -127.31 -54.24 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.649 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.463 ' H ' HG23 ' A' ' 39' ' ' VAL . 1.3 pt-20 169.54 142.73 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.074 0.464 . . . . 0.0 111.235 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.2 -160.66 14.84 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.914 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 55' ' ' THR . 4.2 m -78.62 104.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 110.274 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.515 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.3 m95 -81.57 131.67 35.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.69 -178.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -147.13 149.03 32.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.3 t80 -138.4 142.69 39.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.047 0.451 . . . . 0.0 111.098 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.7 136.09 52.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.525 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -90.12 -29.05 18.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.97 -32.29 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.185 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.724 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.57 14.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mttp 47.76 75.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.5 m -144.96 128.42 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 0.0 111.369 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.825 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 m-85 -97.14 142.09 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.297 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -143.67 139.47 29.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.115 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.51 121.77 63.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.517 178.508 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -99.78 127.3 45.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.202 -179.684 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.74 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 2' ' ' THR . 14.8 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.619 0.247 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.427 ' N ' HG23 ' A' ' 1' ' ' THR . 4.3 m -129.14 123.31 31.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.661 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.3 m-85 -109.45 153.51 23.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.252 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.749 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -132.41 139.23 47.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.468 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.8 tp -119.98 144.02 47.72 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.823 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.5 mp -136.12 116.48 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.153 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.3 mp -101.55 132.28 47.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.981 0.419 . . . . 0.0 111.475 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.99 104.3 7.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.681 HD21 ' HB3' ' A' ' 12' ' ' ALA . 2.4 pt? -112.39 -37.13 5.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.168 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 178.95 97.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.863 0.364 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.37 22.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.681 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.681 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -134.21 113.9 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 122.19 45.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.684 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.687 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.5 mm-40 -111.56 156.99 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.356 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -120.62 159.15 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.159 0.504 . . . . 0.0 111.861 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.935 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.07 142.99 7.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.388 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.9 pp -138.38 143.72 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.923 0.392 . . . . 0.0 111.773 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.703 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 28.5 mmtt -142.72 121.62 12.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.307 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 1' ' ' THR . 0.6 OUTLIER -90.91 120.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.623 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.69 -178.44 7.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.0 p -99.77 -29.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.99 -148.84 0.38 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -135.41 -42.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.77 -25.68 15.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.4 -44.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.547 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -64.57 -48.27 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.476 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.9 pt-20 -53.6 -33.95 56.72 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.537 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.886 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.0 mmpt? -62.69 -36.59 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.632 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.51 -34.63 25.28 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.93 0.872 . . . . 0.0 111.061 179.213 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.5 m-30 -64.9 -41.9 95.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.898 -1.501 . . . . 0.0 107.933 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -74.83 -21.41 59.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.729 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -63.28 -55.41 24.97 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -80.67 -36.94 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.33 -33.76 71.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.035 0.445 . . . . 0.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -77.79 -31.87 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.889 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.13 35.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -88.53 -55.88 3.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.21 -163.55 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.006 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 40' ' ' GLU . 31.5 m -120.1 -44.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.405 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 39' ' ' VAL . 19.1 tt0 -178.8 140.9 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.163 0.506 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.14 -175.81 34.53 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.203 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 55' ' ' THR . 3.3 m -78.61 105.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.162 0.506 . . . . 0.0 110.313 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.498 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 7.7 m95 -82.29 133.91 35.26 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.838 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -147.02 153.09 39.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 21.4 t80 -138.59 142.63 39.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 110.967 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -106.44 136.24 46.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.722 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -92.16 -27.22 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.41 -37.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.433 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.19 20.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER 51.29 78.99 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.069 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.749 HG22 ' HB3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -141.74 124.73 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.022 0.439 . . . . 0.0 111.445 -179.624 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.858 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 m-85 -96.04 140.92 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.162 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 m -143.78 141.76 30.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.09 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.498 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 143.73 35.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 178.571 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.631 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.95 147.32 52.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.783 0.325 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -79.88 128.42 33.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.652 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -108.04 155.92 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -131.35 134.88 46.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.312 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.846 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -119.99 143.95 47.77 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.25 0.548 . . . . 0.0 111.99 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.706 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.9 mp -139.53 116.29 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.222 176.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 7' ' ' LEU . 2.1 mp -99.42 135.74 40.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 0.0 111.352 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -132.13 94.25 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.9 136.15 15.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.63 35.37 24.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.79 15.45 5.91 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.416 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.68 112.69 24.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.734 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -91.37 142.27 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.652 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -142.98 157.06 44.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -123.5 160.32 27.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.946 0.403 . . . . 0.0 111.452 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.46 142.97 8.44 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.62 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.8 pp -136.58 143.19 36.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.938 0.399 . . . . 0.0 111.553 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.658 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.3 mmtt -143.77 144.24 31.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.426 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.79 108.43 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.916 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.38 159.88 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.235 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.03 -29.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.011 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.32 -150.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -128.16 -38.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.32 -24.87 17.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.611 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 mm -70.49 -45.15 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.845 0.355 . . . . 0.0 110.736 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -63.91 -45.44 89.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.8 pt-20 -57.34 -31.33 65.61 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.482 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.6 -34.0 77.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.877 178.808 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.32 -36.24 19.4 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 121.957 0.884 . . . . 0.0 110.805 179.06 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.691 ' CB ' HD22 ' A' ' 5' ' ' LEU . 21.2 m-30 -63.19 -40.35 97.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.897 -1.502 . . . . 0.0 107.563 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 14.3 ptmt -78.94 -21.54 47.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.49 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 6.1 tp -67.53 -46.18 73.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.685 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.701 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.99 -34.26 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.742 178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.26 -31.59 69.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.998 0.428 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -85.34 -31.49 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.16 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.8 -32.3 52.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.905 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.701 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.3 mmtm -93.78 -55.99 3.05 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -105.32 -161.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.478 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.02 -64.4 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 3.0 tm-20 171.18 144.63 0.03 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.04 -157.19 8.09 Favored Glycine 0 CA--C 1.516 0.144 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.769 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 55' ' ' THR . 3.1 m -78.42 104.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 109.924 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 10.7 m95 -81.84 134.07 35.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.003 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.07 150.27 34.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.543 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 31.5 t80 -138.56 142.64 39.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.232 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -107.17 136.16 47.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.528 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -92.5 -28.1 17.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.024 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -34.82 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.371 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.01 13.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 33.8 mttm 49.93 78.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 0.0 111.224 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -146.21 128.06 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.821 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -97.34 142.26 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.368 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.7 m -143.67 139.68 29.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.53 139.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.605 178.564 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.677 ' O ' HG22 ' A' ' 42' ' ' VAL . 82.8 m -131.05 151.36 51.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.991 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.741 0.305 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m -82.67 134.57 35.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.756 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -109.97 158.49 18.19 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.549 0.531 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 51' ' ' THR . 5.9 mttt -131.72 136.23 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.94 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -119.93 143.75 47.82 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.468 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.4 mm -137.44 116.5 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.322 177.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.877 HD13 ' HB3' ' A' ' 14' ' ' GLU . 5.0 mp -99.18 135.66 40.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -128.76 90.3 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -108.18 60.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.797 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 tttt 55.86 102.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.108 0.48 . . . . 0.0 110.905 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 56.94 19.07 4.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.681 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.37 117.63 21.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.52 135.04 54.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.877 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -140.16 157.0 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -123.67 161.21 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 111.501 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.94 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -167.37 143.06 4.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.484 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.756 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.0 pt -140.23 142.7 30.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.935 0.398 . . . . 0.0 111.49 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.681 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 23.1 mmtt -142.73 141.56 31.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -112.2 108.21 17.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.58 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.02 160.64 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.419 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.1 p -69.41 -29.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -113.41 -151.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -124.54 -36.22 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 111.371 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.555 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.51 -29.22 31.07 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.583 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.599 HD13 ' HE3' ' A' ' 28' ' ' LYS . 16.3 mm -66.85 -41.49 87.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.634 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.95 -48.98 66.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.8 pt-20 -51.88 -33.89 38.69 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.664 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.823 ' O ' HD13 ' A' ' 32' ' ' LEU . 14.8 mttt -63.3 -43.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.878 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.635 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.9 -33.09 57.81 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 121.886 0.851 . . . . 0.0 111.292 179.351 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.6 m-30 -67.62 -42.66 82.0 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.056 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.3 pttt -76.55 -21.04 56.21 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.907 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -60.96 -55.74 29.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.984 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -82.63 -35.37 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.962 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -34.24 74.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.923 0.392 . . . . 0.0 110.079 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -77.83 -34.15 52.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.67 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.41 -33.52 63.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.379 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -75.86 -55.81 5.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.369 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.583 HG21 ' HG ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -137.36 -171.3 2.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.517 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 m -153.23 49.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -175.86 130.07 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.87 152.79 6.18 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.765 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 55' ' ' THR . 27.3 m -78.62 110.47 14.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 7.6 m95 -80.37 130.25 35.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.0 156.62 43.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.4 t80 -138.58 142.55 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -106.62 136.2 46.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -92.91 -28.13 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.96 -33.72 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.304 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.81 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 13.5 mttt 49.3 78.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 4' ' ' LYS . 73.1 m -146.49 128.28 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.402 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.865 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -94.96 143.18 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -143.88 142.72 30.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.207 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.522 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 132.9 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.686 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.927 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.06 118.13 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.418 -179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.932 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.853 0.359 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -93.79 140.74 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.745 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -108.37 158.08 17.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 51' ' ' THR . 2.4 mtmt -131.91 136.6 47.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.973 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.8 tp -120.07 143.96 47.84 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.797 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.5 mm -137.2 116.37 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.187 176.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.4 mp -100.18 132.35 45.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.923 0.392 . . . . 0.0 111.317 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.69 109.26 10.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.746 HD13 HG23 ' A' ' 38' ' ' THR . 1.4 pt? -116.78 -19.96 9.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' HD23 ' A' ' 9' ' ' LEU . 2.0 mtpm? -159.23 -78.73 0.06 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.867 0.365 . . . . 0.0 110.738 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -131.38 -58.19 1.0 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.652 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 132.0 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.782 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.43 130.79 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.737 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -98.53 157.1 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.349 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.7 160.61 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 111.835 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.973 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.78 142.92 4.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.419 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.5 pt -139.35 143.73 30.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.022 0.439 . . . . 0.0 111.749 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.669 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.5 mmtt -142.73 129.23 20.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.327 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.14 108.37 20.97 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 177.72 8.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 111.067 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.9 p -92.79 -30.08 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -106.08 -149.14 0.42 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -131.06 -40.54 1.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.302 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.566 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.97 -26.48 19.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.632 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.48 -43.06 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 110.805 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.625 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.71 -44.42 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.571 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -57.63 -32.07 66.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.562 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 29.4 mttm -63.89 -37.68 88.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.847 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.527 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -82.96 -36.32 25.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 121.851 0.834 . . . . 0.0 110.854 179.106 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CB ' HD22 ' A' ' 5' ' ' LEU . 20.0 m-30 -63.35 -41.04 98.83 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.06 -1.427 . . . . 0.0 107.549 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -78.71 -21.43 48.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.387 176.579 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -67.37 -45.5 76.11 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.583 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.63 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.57 -34.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.718 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -58.95 -31.21 68.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.041 0.448 . . . . 0.0 109.929 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -84.61 -33.45 23.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.896 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.45 -30.23 57.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.757 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.63 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.91 -55.89 3.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.757 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.746 HG23 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -111.18 -160.57 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.901 -179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.64 -62.85 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -172.86 -159.43 0.12 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.97 0.414 . . . . 0.0 110.593 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.12 -166.41 28.48 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 55' ' ' THR . 3.1 m -78.63 104.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.484 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 11.6 m95 -83.8 130.75 34.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.798 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -147.05 154.1 40.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.72 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.461 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 27.0 t80 -138.57 142.62 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.977 0.418 . . . . 0.0 110.986 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -111.36 136.27 50.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.765 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -89.86 -28.1 19.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.7 -32.5 3.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.634 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.99 19.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 111.533 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 4.7 mtpp 47.64 76.88 0.1 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.258 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 4' ' ' LYS . 30.8 m -145.05 129.15 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.467 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.2 m-85 -96.3 143.06 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -143.64 140.79 30.29 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.115 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.48 144.85 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.642 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.04 149.81 52.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.895 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 m -90.25 122.13 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.755 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-30 -85.36 157.49 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 51' ' ' THR . 20.3 mttt -130.85 134.99 47.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.897 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 17.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.708 ' HB ' HG23 ' A' ' 53' ' ' THR . 24.7 mm -137.94 116.36 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.19 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.9 mp -100.25 133.41 44.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.99 0.424 . . . . 0.0 111.679 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -132.37 96.37 3.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.617 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.92 ' CD1' HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER -101.12 29.39 4.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 tttm 55.64 33.23 20.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -151.4 -58.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.002 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.62 146.88 38.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.764 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -94.94 144.38 25.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.64 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HB3' HD13 ' A' ' 7' ' ' LEU . 4.6 mm-40 -135.96 157.04 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.797 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -122.7 162.16 22.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.966 0.413 . . . . 0.0 111.39 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -167.04 142.98 4.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.637 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.755 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.0 pt -138.34 142.33 35.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.947 0.403 . . . . 0.0 111.512 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.676 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 35.8 mmtt -143.14 104.02 4.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.477 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -81.53 108.34 15.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.144 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.62 -174.77 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 p -95.95 -30.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -106.31 -148.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.449 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -133.43 -42.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 111.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.99 -26.95 20.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.614 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.7 mm -68.54 -41.23 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.792 0.33 . . . . 0.0 110.779 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -68.14 -48.54 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.587 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -52.62 -32.75 43.26 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.576 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.609 ' O ' HD23 ' A' ' 32' ' ' LEU . 18.5 mttt -63.67 -46.36 85.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.743 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.609 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.8 -33.06 65.99 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 121.916 0.865 . . . . 0.0 111.166 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.676 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.92 -39.9 87.49 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.192 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 8.9 ptmt -79.46 -21.23 45.71 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.679 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -57.5 -57.76 11.24 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.779 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -79.63 -36.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -56.75 -35.57 68.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 110.104 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -76.44 -34.91 58.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.585 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -72.64 -31.05 64.82 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.292 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HG3' HG13 ' A' ' 33' ' ' ILE . 10.2 mttm -80.54 -55.83 4.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.203 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.92 HG21 ' CD1' ' A' ' 9' ' ' LEU . 10.7 t -139.24 -159.13 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.223 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 39' ' ' VAL . 13.1 p -166.69 30.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.722 0.296 . . . . 0.0 111.586 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -156.75 122.49 4.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.3 154.81 7.59 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.858 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 55' ' ' THR . 3.9 m -78.72 114.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 110.528 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.0 m95 -85.57 131.44 34.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.431 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.3 p -145.73 148.69 33.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 37.6 t80 -138.64 142.81 39.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.398 . . . . 0.0 111.31 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -110.49 136.09 50.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.447 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -89.97 -30.11 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.13 -35.2 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -128.78 0.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 8.1 mttt 54.42 70.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.069 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 4' ' ' LYS . 84.6 m -143.95 127.41 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.306 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.85 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 m-85 -94.57 142.56 27.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.378 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.708 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -143.67 140.68 30.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 -179.294 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 130.48 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.629 178.646 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.764 ' O ' HG22 ' A' ' 42' ' ' VAL . 17.9 m -122.54 134.44 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.122 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.89 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.592 HG21 ' HD3' ' A' ' 50' ' ' LYS . 11.5 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.677 0.275 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -93.72 127.61 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.07 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.698 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.7 m-30 -94.93 159.02 15.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 51' ' ' THR . 6.0 tttt -134.83 137.72 43.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.997 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.911 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.5 tp -120.15 144.01 47.9 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.155 0.502 . . . . 0.0 111.822 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.658 HD12 ' C ' ' A' ' 5' ' ' LEU . 4.0 mp -135.71 116.58 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.772 176.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 14' ' ' GLU . 4.5 mp -102.87 136.24 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 111.886 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -135.25 71.91 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.514 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 9' ' ' LEU . 1.6 mm? -87.99 -74.18 0.46 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.748 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -80.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.718 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -145.7 -54.28 0.28 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.63 177.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -126.58 132.31 51.33 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.788 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.833 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -109.04 157.1 19.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.01 159.31 25.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.148 0.499 . . . . 0.0 111.755 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.18 143.14 6.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.326 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.698 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.9 pp -138.61 142.9 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.095 0.474 . . . . 0.0 111.692 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.668 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -143.3 104.84 4.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 108.36 14.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.271 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.66 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -91.93 -29.71 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -101.61 -149.2 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.545 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -138.06 -42.64 0.52 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.539 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.04 -28.51 17.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.562 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.78 -40.53 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.54 -48.71 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.598 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -52.29 -33.95 44.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.555 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.4 mttt -62.35 -46.51 88.33 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.806 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -73.41 -33.48 65.0 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.936 0.874 . . . . 0.0 111.227 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CB ' HD22 ' A' ' 5' ' ' LEU . 19.8 m-30 -66.56 -40.73 89.17 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.191 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.28 -21.28 50.01 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.664 176.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -57.92 -56.6 19.91 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.489 ' O ' HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.53 -35.88 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 179.232 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -61.71 -33.17 73.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.92 0.39 . . . . 0.0 110.364 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -78.75 -31.98 46.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.808 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.91 -38.08 54.18 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.679 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -65.64 -55.9 15.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.96 -163.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.532 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 40' ' ' GLU . 1.3 t -142.78 -179.35 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.758 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.619 ' H ' HG12 ' A' ' 39' ' ' VAL . 9.3 mt-10 63.15 124.41 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.86 0.362 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.0 147.91 4.93 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.77 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 55' ' ' THR . 3.3 m -78.66 104.67 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.324 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -79.83 120.21 23.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.283 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.39 156.95 46.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.2 t80 -138.54 142.54 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -108.12 136.11 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -92.04 -28.91 16.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.02 -32.13 32.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.662 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -141.04 14.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HD3' HG21 ' A' ' 1' ' ' THR . 1.1 mptt 47.56 77.39 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 4' ' ' LYS . 72.7 m -147.3 126.12 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.042 0.449 . . . . 0.0 111.489 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.868 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -93.18 142.83 26.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.926 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 m -143.91 141.64 30.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.231 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 127.32 74.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 178.471 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -114.04 133.43 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 111.084 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t -87.47 127.51 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.661 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -91.85 153.8 19.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' CB ' HG23 ' A' ' 51' ' ' THR . 7.9 mttp -129.33 134.18 47.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 111.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.875 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.8 tp -120.07 143.88 47.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.373 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.694 HD12 ' C ' ' A' ' 5' ' ' LEU . 4.1 mp -140.6 116.21 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.575 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.6 mp -97.1 131.44 43.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.428 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.403 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -116.75 126.06 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.563 -179.478 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.837 HD11 HG23 ' A' ' 38' ' ' THR . 4.9 mp -144.44 77.83 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 69.08 -69.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -134.8 -48.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.79 117.5 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.42 153.55 27.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.633 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -139.79 157.02 46.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.65 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.36 160.47 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.266 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.875 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.7 142.88 8.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.62 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.5 pp -139.25 139.09 40.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.453 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -141.33 109.21 5.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.318 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.83 116.61 14.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.35 174.1 1.04 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.25 -34.69 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 89.98 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.334 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.26 -32.14 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.02 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.3 -26.48 64.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.459 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 mm -74.16 -39.44 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.617 0.246 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.68 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -40.27 78.85 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.302 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -62.88 -32.23 73.43 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.488 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.49 -35.91 82.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.317 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.713 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.6 m-85 -87.14 -36.12 18.24 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.896 0.855 . . . . 0.0 110.888 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 15.7 m-30 -63.28 -39.25 94.05 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.994 -1.457 . . . . 0.0 107.239 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -83.66 -21.69 32.37 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.783 177.259 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD23 ' CD1' ' A' ' 29' ' ' TYR . 18.4 tp -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.692 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.782 HD11 ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -79.75 -39.19 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 178.606 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -54.8 -32.12 59.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.051 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -78.74 -32.7 46.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.011 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.62 34.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.939 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.782 ' CG ' HD11 ' A' ' 33' ' ' ILE . 3.8 mmtm -93.92 -55.86 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.837 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -80.99 -178.59 6.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.075 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 40' ' ' GLU . 11.5 p -122.33 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.486 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' HG13 ' A' ' 39' ' ' VAL . 34.8 tt0 178.33 140.82 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.079 0.466 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.36 -177.09 40.89 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.129 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 55' ' ' THR . 16.8 m -78.51 105.71 8.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.069 0.461 . . . . 0.0 110.327 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 6.9 m95 -81.59 134.56 35.51 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.52 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -146.94 153.58 40.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.724 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 t80 -138.77 142.61 38.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.864 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.9 136.37 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.54 -26.1 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HG2' HG23 ' A' ' 49' ' ' ILE . 63.3 tt0 -44.35 -53.49 6.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.387 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.711 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.6 25.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.647 0.26 . . . . 0.0 111.118 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 3.7 mptt 54.92 87.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.264 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.474 HG23 ' CB ' ' A' ' 4' ' ' LYS . 1.5 m -145.02 120.38 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.379 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.824 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-85 -94.35 140.57 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.223 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -143.76 141.92 30.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.943 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.521 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 145.45 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -131.21 128.43 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.651 0.262 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -76.38 119.42 20.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.133 0.492 . . . . 0.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.629 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.5 m-30 -106.72 152.91 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.034 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -128.68 135.41 49.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.881 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.6 tp -119.98 144.07 47.69 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 112.075 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 5' ' ' LEU . 37.2 mm -135.51 116.11 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.748 HD22 ' HD3' ' A' ' 37' ' ' LYS . 1.2 mp -102.43 131.23 49.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.104 0.478 . . . . 0.0 111.752 -178.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.53 108.03 8.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.702 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.593 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.3 pt? -108.71 28.88 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.42 35.11 5.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -154.83 -77.33 0.1 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.539 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.86 163.87 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.764 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 122.78 43.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.544 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.1 tm-20 -116.14 157.07 25.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.82 162.05 19.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.352 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.881 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -159.54 143.06 14.51 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.797 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.677 ' O ' HD12 ' A' ' 17' ' ' ILE . 1.4 pp -138.49 134.89 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.568 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.785 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.99 134.05 29.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -106.05 108.76 20.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.338 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.13 178.65 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.507 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.11 -35.32 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.497 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.14 -150.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -115.18 -28.7 6.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.692 0.282 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.556 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.56 -29.91 61.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.826 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.44 -45.81 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.838 0.352 . . . . 0.0 111.302 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.676 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.86 -45.91 80.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.707 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -54.22 -31.77 54.09 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.732 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 10.7 mtmm -65.1 -42.77 93.72 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.203 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.579 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.6 m-85 -81.78 -35.65 29.32 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.854 0.835 . . . . 0.0 111.246 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.785 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -66.06 -34.43 78.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.161 -1.381 . . . . 0.0 107.557 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.4 ptmt -89.85 -21.45 22.55 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.838 176.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.579 HD23 ' CD1' ' A' ' 29' ' ' TYR . 49.8 tp -59.85 -53.1 61.89 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 120.371 -0.531 . . . . 0.0 109.925 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 36' ' ' ALA . 1.4 tp -82.47 -37.92 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.866 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' HB3' ' HZ2' ' A' ' 43' ' ' TRP . . . -57.83 -33.69 68.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.087 0.47 . . . . 0.0 109.992 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -77.64 -31.84 52.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.655 178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.496 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -77.53 -34.01 54.09 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.748 ' HD3' HD22 ' A' ' 7' ' ' LEU . 5.2 mtpm? -71.03 -55.83 7.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.061 0.457 . . . . 0.0 110.258 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -168.12 2.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.446 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 m -153.38 45.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.674 0.273 . . . . 0.0 111.562 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.46 127.95 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.901 0.381 . . . . 0.0 111.199 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.4 157.64 8.51 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.616 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG23 ' OG1' ' A' ' 55' ' ' THR . 5.1 m -78.7 110.92 14.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.028 0.442 . . . . 0.0 110.486 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.537 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.5 m95 -84.33 129.38 34.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.387 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -147.08 154.22 40.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 14.7 t80 -138.52 142.76 39.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.7 136.23 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -95.72 -28.57 14.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -32.52 35.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.62 16.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 49.04 80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.817 0.341 . . . . 0.0 111.163 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 4' ' ' LYS . 50.2 m -148.08 126.24 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.039 0.447 . . . . 0.0 111.468 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.802 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-85 -93.37 142.23 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.31 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.8 m -143.91 137.5 27.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.995 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.47 123.11 66.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.56 ' OG1' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -104.57 140.71 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.665 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.394 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.66 0.267 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.07 115.74 27.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 110.955 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.65 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.6 m-30 -103.04 151.99 21.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.294 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 51' ' ' THR . 4.5 mtpp -131.71 137.27 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.937 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.4 tp -120.01 143.89 47.81 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.2 0.524 . . . . 0.0 111.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.756 HD13 ' O ' ' A' ' 5' ' ' LEU . 27.6 mm -140.13 116.4 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.352 176.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.9 mp -96.84 133.35 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.939 0.399 . . . . 0.0 111.164 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -136.03 84.06 2.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.124 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.825 HD11 HG21 ' A' ' 38' ' ' THR . 2.3 mm? -80.75 -73.61 0.36 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.804 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -109.84 -77.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -125.46 -43.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.69 157.61 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.729 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -129.55 151.27 50.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.278 0.561 . . . . 0.0 110.571 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -133.96 157.07 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.691 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.3 162.21 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.473 . . . . 0.0 111.543 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.937 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.72 143.01 4.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.305 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -138.66 143.99 30.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 0.0 111.677 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.698 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 10.9 mmtt -144.24 121.34 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.193 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.08 113.51 25.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.31 175.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.303 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.48 -31.15 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.82 90.24 5.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.446 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.605 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.42 -39.22 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.767 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.99 -25.87 57.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.439 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.9 mm -71.45 -39.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.698 0.285 . . . . 0.0 110.712 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.541 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.02 -46.15 75.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.7 pt-20 -57.03 -31.34 65.05 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.8 -39.41 93.54 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.072 178.866 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.63 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -81.42 -37.09 28.64 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-O 121.958 0.885 . . . . 0.0 110.688 179.195 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CB ' HD22 ' A' ' 5' ' ' LEU . 18.3 m-30 -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.985 -1.461 . . . . 0.0 107.307 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.4 ptmm? -80.17 -21.55 42.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.788 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.63 HD23 ' CE1' ' A' ' 29' ' ' TYR . 26.2 tp -65.56 -47.82 74.5 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 120.466 -0.494 . . . . 0.0 109.756 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.52 HG13 ' HG3' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -86.98 -35.09 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.759 178.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -37.52 83.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -74.61 -33.94 62.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.569 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.04 -23.97 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.76 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.52 ' HG3' HG13 ' A' ' 33' ' ' ILE . 12.0 mttm -87.26 -56.05 3.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.061 0.458 . . . . 0.0 110.739 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 9' ' ' LEU . 8.6 t -115.23 -158.88 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.917 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.575 HG22 ' HG2' ' A' ' 40' ' ' GLU . 12.1 p -104.36 -51.25 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.575 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER 165.59 148.37 0.02 OUTLIER 'General case' 0 C--O 1.231 0.105 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.86 -162.69 11.4 Favored Glycine 0 CA--C 1.517 0.215 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.676 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 42' ' ' VAL . 31.4 m -78.56 104.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.134 0.492 . . . . 0.0 110.016 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.9 m95 -83.24 132.86 35.03 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.132 -178.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.9 p -147.17 151.74 37.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.59 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.9 t80 -138.61 142.57 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' HD11 ' A' ' 49' ' ' ILE . 4.3 mttp -108.38 136.18 48.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.601 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.85 -28.93 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -34.05 27.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.482 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.669 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.49 13.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.651 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 9.8 mttt 47.85 75.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.293 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 4' ' ' LYS . 71.9 m -145.2 126.63 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 111.191 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.823 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -93.25 142.52 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 m -143.68 140.58 30.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.957 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.507 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.44 145.55 30.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.551 178.574 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.97 150.15 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.343 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 m . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.455 0.169 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.578 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 4.4 m-30 -84.67 161.14 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 51' ' ' THR . 4.0 ttpp -134.84 134.1 40.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.878 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 18.6 tp -119.89 143.99 47.65 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.233 0.539 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.711 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.6 mm -139.15 116.16 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.221 176.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.754 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -100.94 130.54 46.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 110.914 -178.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.9 136.85 54.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.173 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.78 HD11 HG23 ' A' ' 38' ' ' THR . 6.3 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.711 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.754 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.7 mm-40 -98.28 157.13 16.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.727 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -125.55 161.97 25.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.012 0.434 . . . . 0.0 111.6 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.878 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.17 143.0 8.86 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.459 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -136.51 141.79 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.959 0.409 . . . . 0.0 111.515 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.682 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.9 mmtt -144.41 121.06 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.327 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.81 111.47 23.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.219 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.61 143.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.14 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.17 -32.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.938 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -77.36 86.97 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.554 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -45.17 -39.47 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.559 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.24 -25.61 54.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.396 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.0 mm -71.25 -40.61 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.726 0.298 . . . . 0.0 110.73 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.06 -47.96 75.48 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.098 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -54.8 -34.87 63.24 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.3 mmtt -61.25 -36.73 80.78 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.163 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -83.95 -35.74 23.77 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.947 0.879 . . . . 0.0 110.918 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.701 ' CB ' HD22 ' A' ' 5' ' ' LEU . 21.8 m-30 -63.75 -39.28 93.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.013 -1.449 . . . . 0.0 107.588 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 6.4 ptpt -81.37 -21.53 38.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.655 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 8.6 tp -66.18 -46.23 78.09 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.766 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.76 -32.6 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.742 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -60.69 -32.0 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.071 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 1.2 t-20 -84.09 -32.24 24.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.013 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.02 -39.39 50.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.71 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.766 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.85 -56.0 3.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.78 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -84.82 -165.68 1.26 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 40' ' ' GLU . 4.4 m -128.91 -51.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.631 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' H ' HG23 ' A' ' 39' ' ' VAL . 2.0 pt-20 175.25 139.75 0.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.119 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.66 -168.89 30.47 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.048 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 55' ' ' THR . 30.9 m -78.66 107.86 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 0.0 110.497 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.0 m95 -83.47 133.27 34.91 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.508 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 p -146.96 150.17 34.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.668 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.528 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 29.4 t80 -138.53 142.54 39.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 136.09 48.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.603 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -92.52 -28.69 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -32.41 37.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.456 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.24 15.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.942 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 47.98 77.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 111.236 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.8 m -143.17 127.66 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 111.379 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.821 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-85 -97.94 141.19 31.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.04 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -143.78 139.93 29.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.073 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.502 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 144.18 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 178.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.19 129.51 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.07 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.881 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.616 0.246 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.672 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -88.9 155.66 19.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 51' ' ' THR . 51.4 mttp -131.53 133.0 44.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.111 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.856 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.5 tp -119.93 143.94 47.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.311 0.577 . . . . 0.0 112.031 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 5' ' ' LEU . 39.4 mm -138.62 116.37 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.907 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.861 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.1 mp -102.35 130.38 49.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.076 0.465 . . . . 0.0 111.507 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.26 110.55 11.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.3 pt? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.349 0 CA-C-O 120.633 0.254 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.861 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -124.16 157.29 35.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -123.27 162.42 22.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.856 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.37 143.11 4.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.945 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.3 pt -137.54 142.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.425 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 34.4 mmtt -143.6 104.06 4.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.614 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.76 112.4 8.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.56 172.4 1.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.062 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.2 p -102.65 -43.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' N ' HG13 ' A' ' 21' ' ' VAL . 23.5 t0 -66.43 88.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.34 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.58 -30.81 0.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.977 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.87 -27.97 71.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.514 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.1 mm -71.16 -40.23 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.63 -46.78 74.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -56.08 -31.45 63.23 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -64.4 -39.74 94.43 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -81.63 -37.67 27.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 122.03 0.919 . . . . 0.0 110.782 179.253 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.672 ' HZ ' ' HB3' ' A' ' 3' ' ' TYR . 19.7 m-30 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.455 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 12.3 ptpt -80.14 -21.52 43.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.429 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CE1' ' A' ' 29' ' ' TYR . 13.1 tp -67.32 -44.17 79.8 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.92 -33.53 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.88 -28.51 67.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.013 0.435 . . . . 0.0 110.149 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.66 -32.46 18.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.098 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.57 57.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.779 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.1 mmtp -93.84 -55.86 3.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -164.14 1.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -61.58 2.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.8 156.15 0.05 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.358 0.599 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.7 -155.84 10.83 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.866 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 55' ' ' THR . 3.0 m -78.59 104.6 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 110.146 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.505 ' HA ' HG23 ' A' ' 54' ' ' VAL . 11.2 m95 -82.81 132.23 35.17 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.813 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -146.97 150.35 34.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.657 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.0 t80 -138.61 142.71 39.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.0 111.345 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' HD3' HD11 ' A' ' 49' ' ' ILE . 10.4 mtpt -107.51 136.15 47.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -92.62 -28.68 16.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.044 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -34.66 55.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.672 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.29 12.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 49.9 78.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 111.265 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 4' ' ' LYS . 62.3 m -147.14 127.07 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.827 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -96.41 142.94 27.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.644 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -143.75 138.11 28.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.084 -179.309 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 143.67 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.55 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.02 150.37 52.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.857 179.644 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.341 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.609 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.5 m-30 -101.26 152.95 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 1.9 mptt -130.4 135.6 48.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.095 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.924 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 17.3 tp -119.86 143.77 47.73 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.186 0.517 . . . . 0.0 111.656 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.811 HD13 ' O ' ' A' ' 5' ' ' LEU . 25.8 mm -137.78 116.41 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.226 176.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.4 mp -100.51 132.05 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.995 0.426 . . . . 0.0 111.4 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.81 106.82 8.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.7 pt? . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.917 0.389 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 7' ' ' LEU . 47.4 tp10 -101.04 157.0 17.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.35 162.25 23.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.072 0.463 . . . . 0.0 111.69 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.924 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 143.04 6.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.437 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -137.99 141.96 37.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.945 0.402 . . . . 0.0 111.616 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.689 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 5.7 mmtt -144.15 123.3 12.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.331 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.21 113.0 24.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.32 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.88 141.51 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.99 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.33 -32.24 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.197 0.523 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.4 88.72 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.496 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.601 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.14 -33.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.715 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -58.39 -28.82 62.53 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.286 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.75 -39.83 80.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.647 0.261 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.93 -46.79 73.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.286 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.0 pt-20 -54.92 -33.52 62.25 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.605 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 14.7 mtmt -61.98 -45.29 94.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.972 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -75.78 -35.93 59.95 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.855 0.836 . . . . 0.0 111.203 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.689 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 18.7 m-30 -63.59 -40.65 97.49 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.106 -1.406 . . . . 0.0 107.626 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 8.8 ptpt -80.82 -21.61 40.69 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.528 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.2 tp -67.51 -45.19 76.52 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.777 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -86.82 -31.41 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.79 -31.04 69.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.113 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -32.67 20.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.036 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -74.89 -38.63 61.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.825 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.777 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.0 mmmt -93.98 -55.88 3.06 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.581 ' OG1' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -96.6 -169.14 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.689 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.76 -63.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.627 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 1.1 tt0 172.14 143.46 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.999 0.428 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -161.84 -157.1 8.69 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.062 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.9 m -78.55 104.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.055 0.455 . . . . 0.0 110.451 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.4 m95 -81.91 132.5 35.27 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -146.94 148.32 31.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.7 t80 -138.52 142.62 39.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.969 0.414 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.2 136.44 52.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.813 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -86.1 -26.39 25.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.654 ' HG3' HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -42.55 -41.31 2.96 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.526 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.654 HD13 ' HG3' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -146.6 22.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 7.7 mptt 51.48 80.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -141.36 128.57 20.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 111.456 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.858 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-85 -102.46 140.33 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.045 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -143.91 141.18 30.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.171 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 144.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 178.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.92 151.88 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.637 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.7 m-30 -100.13 160.05 14.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -133.73 136.71 44.81 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.848 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.3 tp -120.19 143.82 48.04 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.918 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 5' ' ' LEU . 20.6 mm -137.28 116.42 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.987 176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.2 mp -105.76 135.79 46.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.255 0.55 . . . . 0.0 111.94 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.99 108.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.393 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.568 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.3 pt? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.945 0.402 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.659 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -117.41 156.97 27.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.884 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 162.31 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.848 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.89 143.02 4.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.032 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.2 pt -137.31 142.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.683 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 19.6 mmtt -143.44 136.87 28.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.578 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.79 108.49 19.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.771 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.09 170.17 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.398 . . . . 0.0 111.382 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -80.55 -30.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -110.25 -149.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -128.24 -38.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.249 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.94 -24.87 21.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.7 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.84 -44.47 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -63.96 -45.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.464 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.2 pt-20 -56.8 -32.9 66.16 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.529 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -63.29 -34.32 77.44 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.923 178.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.58 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.03 -36.07 19.95 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-O 121.994 0.902 . . . . 0.0 110.798 178.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CB ' HD22 ' A' ' 5' ' ' LEU . 20.8 m-30 -63.01 -39.9 96.17 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 113.966 -1.47 . . . . 0.0 107.583 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.4 ptmt -80.66 -21.43 41.41 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.656 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.0 tp -66.99 -45.15 78.49 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.93 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.565 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -89.17 -35.32 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.753 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.68 -30.35 68.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.065 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -87.77 -31.92 19.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 -28.24 57.08 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.787 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.565 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -90.86 -48.6 6.92 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.489 179.588 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.6 p -151.6 -150.83 0.36 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.495 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.648 HG22 ' H ' ' A' ' 40' ' ' GLU . 2.4 p -173.0 178.56 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 121.33 -0.148 . . . . 0.0 110.992 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.648 ' H ' HG22 ' A' ' 39' ' ' VAL . 2.1 tt0 62.6 136.16 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.169 0.509 . . . . 0.0 111.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.16 157.19 7.05 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.787 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.4 m -78.67 105.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.167 0.508 . . . . 0.0 110.301 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.2 m95 -80.26 124.69 29.04 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.515 -178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 p -146.94 160.73 41.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.776 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 18.6 t80 -138.49 137.83 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -102.5 136.2 42.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -90.91 -26.55 19.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -45.71 -32.66 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.34 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.646 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -152.32 22.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 111.676 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 5.1 mttp 49.28 78.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 4' ' ' LYS . 55.0 m -145.9 123.12 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.426 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.838 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -89.95 142.24 27.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.918 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -143.81 142.02 30.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.231 -0.441 . . . . 0.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.42 123.38 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.28 178.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.488 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -104.83 140.92 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.11 -179.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.425 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.608 0.242 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.721 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.2 m-30 -110.9 154.98 23.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 51' ' ' THR . 3.4 mppt? -131.62 138.54 48.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.949 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.7 tp -120.19 144.01 47.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.646 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.73 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.7 mp -136.93 116.25 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.235 176.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.7 mp -98.99 132.16 44.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.075 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.81 103.25 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.236 0.39 0 CA-C-O 120.365 0.126 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.0 mp0 -126.35 157.12 39.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.559 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -121.22 159.82 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.757 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.949 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.56 142.96 6.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -138.58 143.75 31.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.961 0.41 . . . . 0.0 111.632 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.703 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.3 mmtt -141.36 123.63 15.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.408 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 108.61 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.703 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.01 163.18 39.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.57 -29.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.527 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -97.22 -146.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.448 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -139.52 -43.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.15 -25.21 17.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.12 -43.2 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.845 0.355 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.28 -47.41 76.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.417 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -54.77 -33.19 61.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.866 ' O ' HD13 ' A' ' 32' ' ' LEU . 2.7 mmtt -63.15 -36.52 83.9 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.001 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.681 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.72 -34.68 24.85 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.957 0.884 . . . . 0.0 110.976 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.3 m-30 -64.82 -41.35 95.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.007 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 20.6 ptmt -76.24 -21.4 56.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.799 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -61.12 -56.78 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.001 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.583 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -80.35 -36.38 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.716 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -58.79 -38.1 77.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.905 0.383 . . . . 0.0 110.159 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.607 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.9 -28.56 58.13 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.509 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -82.4 -55.98 4.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.627 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.3 p -112.3 -164.55 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.783 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.47 16.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 168.67 153.19 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.293 0.568 . . . . 0.0 110.93 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 164.4 13.48 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.374 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.6 m -78.7 115.64 21.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.943 0.402 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 6.5 m95 -91.57 133.33 35.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.619 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -147.14 154.37 41.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 20.2 t80 -138.53 142.49 39.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.824 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -109.53 136.11 49.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -91.98 -28.45 17.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.49 -29.08 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.42 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.644 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.67 17.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.77 72.4 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.191 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.7 m -143.24 133.01 23.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 0.0 111.376 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.843 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -97.82 143.46 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.35 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.4 m -143.6 141.76 30.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.905 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.42 145.59 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.792 178.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -129.29 145.26 51.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.977 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.517 0.199 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.542 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.5 m-30 -101.94 151.8 21.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 51' ' ' THR . 13.1 mtmt -127.95 135.22 49.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.911 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.7 tp -120.2 143.82 48.04 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.374 0.607 . . . . 0.0 112.023 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 5' ' ' LEU . 33.5 mm -137.1 116.21 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.914 176.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.6 mp -100.57 132.55 45.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 111.701 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.25 106.52 7.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.716 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.855 ' CD1' HG21 ' A' ' 38' ' ' THR . 2.3 pt? . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.623 0.249 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.825 ' HB3' HD13 ' A' ' 7' ' ' LEU . 5.6 mm-40 -117.35 157.06 26.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.71 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -126.47 162.32 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.254 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.45 143.05 4.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.943 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.492 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 3.4 pt -142.29 134.06 26.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.142 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.792 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.78 131.99 26.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.938 0.399 . . . . 0.0 111.22 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.49 108.52 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.84 169.12 17.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.91 -30.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.047 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.05 -151.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -120.88 -32.91 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 111.351 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.553 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -54.56 -29.67 48.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.727 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.86 -44.81 92.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.9 0.381 . . . . 0.0 111.345 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.34 -45.82 78.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.769 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -54.27 -31.45 53.74 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 10.4 mtmt -64.6 -45.01 88.76 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.11 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.638 ' CE1' HD23 ' A' ' 32' ' ' LEU . 2.2 m-85 -79.73 -36.03 38.0 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.851 0.834 . . . . 0.0 111.28 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.792 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -64.8 -34.22 77.84 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.148 -1.387 . . . . 0.0 107.831 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 15.2 ptpt -89.69 -21.38 22.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.667 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' CE1' ' A' ' 29' ' ' TYR . 26.5 tp -63.92 -46.5 84.49 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.945 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.626 HD11 ' HG2' ' A' ' 37' ' ' LYS . 1.4 tp -86.87 -36.62 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.95 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB3' ' HZ2' ' A' ' 43' ' ' TRP . . . -60.61 -31.75 70.91 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 110.222 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.75 -31.77 25.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.963 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.0 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.642 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.626 ' HG2' HD11 ' A' ' 33' ' ' ILE . 7.1 mmtt -55.47 -55.8 27.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.855 HG21 ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -148.06 -155.97 0.68 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.653 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.745 HG13 ' CG ' ' A' ' 40' ' ' GLU . 2.7 p -166.24 -179.53 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.745 ' CG ' HG13 ' A' ' 39' ' ' VAL . 5.6 mt-10 62.92 127.21 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.78 158.67 8.39 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.553 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.433 HG23 ' OG1' ' A' ' 55' ' ' THR . 3.2 m -78.71 104.71 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.004 0.43 . . . . 0.0 110.645 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 4.9 m95 -78.89 127.77 32.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.103 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -146.82 155.35 42.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.531 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 18.3 t80 -138.61 142.69 39.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.953 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -104.97 136.17 44.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.654 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.1 -28.29 15.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.6 -35.04 53.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.689 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.2 14.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 50.72 80.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 4' ' ' LYS . 90.0 m -148.13 126.34 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 111.484 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.803 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-85 -93.51 142.39 27.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.165 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 m -143.89 138.15 28.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.089 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.63 125.19 70.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 178.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.433 ' OG1' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -108.24 139.48 42.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.269 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 2' ' ' THR . 14.0 t . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.687 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-30 -103.74 154.42 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 51' ' ' THR . 1.6 mptm? -131.44 135.29 47.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.941 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.9 tp -119.98 143.83 47.82 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 111.812 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 5' ' ' LEU . 22.9 mm -137.96 116.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.154 176.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.765 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.3 mp -101.68 135.49 43.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.769 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.16 105.57 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.665 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.9 pt? . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.765 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.0 mm-40 -104.02 157.06 17.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.492 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -122.97 161.6 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.016 0.436 . . . . 0.0 111.56 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.941 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.81 142.87 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.474 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.705 ' O ' HD12 ' A' ' 17' ' ' ILE . 1.6 pp -137.98 142.53 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 0.0 111.606 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.676 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -144.01 136.85 27.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.218 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.41 116.07 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.75 148.78 0.56 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -73.45 -30.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -86.7 91.03 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.585 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.553 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.36 -34.51 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.662 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.574 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.87 -26.74 55.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' A' ' 28' ' ' LYS . 19.3 mm -70.12 -38.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.68 0.276 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.607 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.46 -45.37 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.338 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.9 pt-20 -56.56 -33.2 65.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.588 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 7.4 mtmm -63.07 -43.19 99.26 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.127 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.585 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -77.6 -34.88 53.34 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-O 121.874 0.845 . . . . 0.0 111.098 179.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CB ' HD22 ' A' ' 5' ' ' LEU . 18.5 m-30 -64.65 -38.48 91.15 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.731 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -84.8 -21.36 29.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.766 -1.106 . . . . 0.0 108.661 176.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 6.2 tp -65.98 -45.25 82.34 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.573 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.86 -34.94 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.775 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -57.96 -30.68 66.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 110.079 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.66 -33.03 18.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.948 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.93 -27.12 60.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.802 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.573 ' CG ' HD11 ' A' ' 33' ' ' ILE . 4.0 mmtm -92.94 -50.87 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.671 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 t -148.72 -151.68 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 40' ' ' GLU . 2.1 p -172.92 179.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.024 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.662 ' H ' HG22 ' A' ' 39' ' ' VAL . 12.5 tp10 62.61 135.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.206 0.527 . . . . 0.0 111.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.21 156.3 6.75 Favored Glycine 0 C--N 1.323 -0.157 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.74 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 55' ' ' THR . 5.3 m -78.73 105.44 7.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.046 0.45 . . . . 0.0 110.259 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.59 ' HA ' HG23 ' A' ' 54' ' ' VAL . 7.3 m95 -78.56 125.11 28.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.374 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -146.94 157.54 43.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 8.6 t80 -138.5 124.53 20.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -99.64 136.33 39.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 49' ' ' ILE . 11.5 t0 -62.56 -99.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.35 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 50.49 -81.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.716 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -134.93 29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.163 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.33 93.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 4' ' ' LYS . 66.4 m -149.97 132.85 16.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.83 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.7 m-85 -104.05 143.2 33.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.48 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.8 m -143.89 140.85 29.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.055 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.59 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.37 123.17 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.294 178.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.793 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -109.51 130.36 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.895 0.379 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.641 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -103.09 151.47 22.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.084 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 51' ' ' THR . 3.0 tttt -131.87 135.98 47.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.972 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 18.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.244 0.545 . . . . 0.0 112.009 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 5' ' ' LEU . 37.7 mm -139.36 116.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.056 176.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 14' ' ' GLU . 4.6 mp -103.79 141.61 35.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.011 0.434 . . . . 0.0 111.75 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.94 106.75 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.767 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.62 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.4 pt? . . . . . 0 CA--C 1.53 0.208 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.158 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 121.187 0.518 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.837 ' HB3' HD13 ' A' ' 7' ' ' LEU . 5.1 tp10 -114.33 144.18 43.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.281 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -109.0 160.06 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 111.516 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.972 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.77 142.86 4.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.465 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 3' ' ' TYR . 2.8 pt -141.74 141.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.699 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.4 mmtt -142.91 105.66 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.283 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.95 122.54 25.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.03 160.46 8.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.43 -28.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.97 -146.03 0.11 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -152.76 -44.69 0.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.504 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -53.61 -24.33 24.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.269 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.4 mm -70.05 -42.75 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.745 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.68 -47.88 73.98 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.396 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -53.91 -35.53 61.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.31 -40.58 91.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.166 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.59 -39.41 31.76 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-O 122.02 0.914 . . . . 0.0 110.975 179.315 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.699 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.1 m-30 -60.48 -40.49 91.46 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.729 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 6.3 ptpt -82.0 -21.48 37.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.614 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.621 HD23 ' CE1' ' A' ' 29' ' ' TYR . 24.1 tp -61.95 -46.49 89.06 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.092 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.609 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.1 tp -90.26 -35.59 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.765 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB2' HD21 ' A' ' 7' ' ' LEU . . . -61.26 -28.25 69.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.31 -31.7 18.82 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.831 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.27 -30.35 54.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.729 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.609 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.5 mmmt -91.27 -46.59 7.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.1 -160.47 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.396 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.759 HG13 ' OE2' ' A' ' 40' ' ' GLU . 14.7 p -178.3 35.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.579 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.759 ' OE2' HG13 ' A' ' 39' ' ' VAL . 6.0 mm-40 -149.88 118.0 6.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.9 158.61 9.15 Favored Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.905 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 55' ' ' THR . 3.4 m -78.63 107.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.265 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -78.57 128.19 33.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.444 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -146.88 150.48 35.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.3 t80 -138.53 142.58 39.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -110.97 136.2 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.614 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.27 -28.97 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.984 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.16 -34.96 59.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.668 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -135.1 8.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER 50.64 76.13 0.16 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.353 . . . . 0.0 111.246 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 4' ' ' LYS . 90.7 m -146.25 125.42 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 111.524 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-85 -94.58 141.27 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.914 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -144.04 140.31 29.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.55 137.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.181 178.126 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -128.31 128.01 43.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.979 0.419 . . . . 0.0 111.316 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.786 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.723 0.297 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.538 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.1 m-30 -99.36 154.35 18.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 51' ' ' THR . 1.0 OUTLIER -128.16 136.22 50.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.938 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -120.06 143.88 47.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 111.675 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 5' ' ' LEU . 27.8 mm -138.52 116.26 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.357 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.8 mp -97.27 131.09 44.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.976 0.417 . . . . 0.0 111.016 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.27 92.94 3.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.2 pt? . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.457 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.331 0.586 . . . . 0.0 110.471 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.716 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.4 mp0 -132.91 157.06 46.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.86 162.31 24.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.501 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.938 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 142.98 5.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.626 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -140.41 136.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.752 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.58 138.94 31.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.848 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -105.32 119.21 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.21 135.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.199 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.55 -30.31 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.01 91.97 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.559 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -43.83 -30.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.665 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -59.98 -26.83 63.77 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.384 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.2 mm -69.61 -43.52 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.688 0.28 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.24 -44.09 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.576 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -57.16 -31.42 65.38 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.48 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.0 mmtt -65.85 -40.68 91.95 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 m-85 -83.11 -35.12 25.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 121.879 0.847 . . . . 0.0 110.988 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.752 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.9 m-30 -64.25 -34.86 79.09 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.042 -1.435 . . . . 0.0 107.537 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 12.8 ptmt -89.69 -21.38 22.76 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.638 -1.164 . . . . 0.0 108.914 177.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 8.4 tp -64.66 -46.85 80.73 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.811 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -86.32 -35.05 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.859 178.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -59.61 -36.81 77.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -77.43 -31.54 54.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.513 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.473 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -74.83 -30.96 61.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 33' ' ' ILE . 2.5 mttp -81.73 -55.95 4.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 -156.75 0.76 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.137 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.7 p -170.91 43.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 178.4 137.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.048 0.451 . . . . 0.0 111.077 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.34 164.88 11.68 Favored Glycine 0 C--N 1.324 -0.106 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -81.38 115.97 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.266 179.573 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.564 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.2 m95 -89.89 130.99 36.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.69 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.7 p -147.07 155.51 42.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 4.5 t80 -138.64 142.55 39.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -107.21 136.17 47.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -96.15 -28.17 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.9 -31.04 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.665 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.99 18.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 111.46 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 47.41 75.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 111.252 179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.1 m -145.12 127.84 16.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.359 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.826 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 m-85 -93.98 141.76 28.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.353 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -143.84 141.63 30.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.564 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 123.8 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.581 178.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.5 m -105.13 144.15 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.131 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 121.317 0.58 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.762 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.7 m-30 -104.69 158.19 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.783 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 51' ' ' THR . 2.4 mtpp -129.09 134.71 48.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.904 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.3 tp -119.89 143.83 47.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 111.689 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 5' ' ' LEU . 25.0 mm -137.05 116.17 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.256 176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.8 mp -100.81 132.75 46.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.152 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.45 97.99 4.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.866 HD22 HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.847 0.356 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.6 tt0 -141.48 157.11 45.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -121.96 162.25 21.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.51 143.16 8.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.822 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.2 pp -141.96 135.09 28.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.793 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -138.68 141.8 39.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -112.09 108.19 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.781 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.54 170.9 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.354 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -76.19 -30.81 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.23 -150.09 0.45 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -117.49 -29.54 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 111.311 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.98 -28.48 60.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.832 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.31 -45.16 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.792 0.33 . . . . 0.0 110.991 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.01 -49.28 65.79 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.725 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 12.5 pt-20 -52.17 -29.12 20.79 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.8 mmpt? -68.16 -41.39 81.62 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.303 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE1' HD23 ' A' ' 32' ' ' LEU . 2.4 m-85 -82.74 -35.38 26.69 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.831 0.824 . . . . 0.0 111.057 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.793 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 14.5 m-30 -64.78 -34.23 77.85 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.572 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -89.69 -21.37 22.76 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.619 -1.173 . . . . 0.0 108.71 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 29' ' ' TYR . 23.2 tp -65.43 -46.99 77.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.032 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.631 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -85.42 -33.61 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -57.72 -30.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.003 0.43 . . . . 0.0 110.094 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -37.01 21.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.658 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -70.58 -31.46 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.461 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.631 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.9 mmtt -93.78 -53.52 3.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.866 HG23 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -117.71 -177.07 3.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 38' ' ' THR . 2.7 m -162.42 40.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.486 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.21 132.19 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.844 0.354 . . . . 0.0 111.341 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.49 160.96 10.04 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.8 m -78.67 113.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.021 0.439 . . . . 0.0 110.377 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 5.8 m95 -84.06 131.54 34.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.699 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.2 p -147.07 151.29 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 13.8 t80 -138.58 142.62 39.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.004 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -108.39 136.17 48.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.655 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -94.44 -28.9 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.55 -31.12 45.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -140.74 15.11 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.621 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mmmt 48.31 74.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.7 m -142.93 129.32 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.048 0.451 . . . . 0.0 111.629 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.831 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 m-85 -97.84 141.39 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.072 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.465 HG23 ' HB ' ' A' ' 6' ' ' ILE . 4.3 m -143.9 139.32 29.14 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.093 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.51 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.6 124.41 69.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.536 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.421 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -105.2 151.22 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.075 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 2' ' ' THR . 13.5 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.943 0.401 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.674 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.2 m-85 -108.95 151.71 25.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 51' ' ' THR . 1.9 tttt -132.26 138.81 48.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.739 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.897 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.7 tp -120.08 143.8 47.93 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.242 0.544 . . . . 0.0 111.913 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.761 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.3 mp -135.3 116.46 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.797 176.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -106.05 136.14 46.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.468 . . . . 0.0 111.824 -178.216 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.16 115.65 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.622 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB3' ' CG2' ' A' ' 38' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.092 0.472 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.638 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -111.77 156.88 21.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.445 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.53 159.72 27.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.093 0.473 . . . . 0.0 111.595 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.04 142.92 7.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.516 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.7 pp -137.76 145.03 29.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.083 0.468 . . . . 0.0 111.52 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.7 mmtt -142.26 121.12 12.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.5 115.33 25.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.177 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.69 177.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.67 -30.46 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.008 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.29 92.72 7.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.566 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -43.09 -40.39 3.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.874 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.94 -24.92 51.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.5 mm -71.5 -40.51 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.44 -46.71 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.212 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -56.31 -32.06 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.59 -35.57 81.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.126 178.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.645 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -85.7 -33.74 21.44 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 121.904 0.859 . . . . 0.0 110.997 179.197 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.07 -39.78 90.34 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.52 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -78.64 -21.66 48.04 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.604 176.817 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.645 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 3.0 tp -69.07 -47.38 65.44 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.763 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -84.43 -32.41 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -59.48 -31.04 68.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 110.04 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -84.4 -33.41 23.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.08 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -76.6 -37.61 56.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.81 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.763 ' CG ' HD11 ' A' ' 33' ' ' ILE . 5.7 mmtt -93.83 -55.9 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.749 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -91.81 -160.93 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 40' ' ' GLU . 3.2 m -127.31 -54.24 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.649 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.463 ' H ' HG23 ' A' ' 39' ' ' VAL . 1.3 pt-20 169.54 142.73 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.074 0.464 . . . . 0.0 111.235 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.2 -160.66 14.84 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.914 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 55' ' ' THR . 4.2 m -78.62 104.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 110.274 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.515 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.3 m95 -81.57 131.67 35.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.69 -178.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -147.13 149.03 32.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.3 t80 -138.4 142.69 39.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.047 0.451 . . . . 0.0 111.098 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.7 136.09 52.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.525 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -90.12 -29.05 18.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.97 -32.29 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.185 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.724 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.57 14.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mttp 47.76 75.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.5 m -144.96 128.42 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 0.0 111.369 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.825 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 m-85 -97.14 142.09 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.297 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -143.67 139.47 29.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.115 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.51 121.77 63.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.517 178.508 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -99.78 127.3 45.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.202 -179.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.74 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.644 0.259 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.661 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.3 m-85 -109.45 153.51 23.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.252 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.749 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -132.41 139.23 47.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.468 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.8 tp -119.98 144.02 47.72 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.823 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.5 mp -136.12 116.48 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.153 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.3 mp -101.55 132.28 47.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.981 0.419 . . . . 0.0 111.475 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.99 104.3 7.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.4 pt? . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.168 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.199 0.523 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.687 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.5 mm-40 -111.56 156.99 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.356 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -120.62 159.15 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.159 0.504 . . . . 0.0 111.861 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.935 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.07 142.99 7.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.388 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.9 pp -138.38 143.72 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.923 0.392 . . . . 0.0 111.773 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.703 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 28.5 mmtt -142.72 121.62 12.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.307 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.91 120.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.623 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.69 -178.44 7.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.0 p -99.77 -29.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.99 -148.84 0.38 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -135.41 -42.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.77 -25.68 15.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.4 -44.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.547 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -64.57 -48.27 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.476 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.9 pt-20 -53.6 -33.95 56.72 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.537 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.886 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.0 mmpt? -62.69 -36.59 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.632 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.51 -34.63 25.28 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.93 0.872 . . . . 0.0 111.061 179.213 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.5 m-30 -64.9 -41.9 95.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.898 -1.501 . . . . 0.0 107.933 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -74.83 -21.41 59.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.729 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -63.28 -55.41 24.97 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -80.67 -36.94 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.33 -33.76 71.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.035 0.445 . . . . 0.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -77.79 -31.87 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.889 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.13 35.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -88.53 -55.88 3.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.21 -163.55 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.006 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 40' ' ' GLU . 31.5 m -120.1 -44.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.405 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 39' ' ' VAL . 19.1 tt0 -178.8 140.9 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.163 0.506 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.14 -175.81 34.53 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.203 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 55' ' ' THR . 3.3 m -78.61 105.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.162 0.506 . . . . 0.0 110.313 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.498 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 7.7 m95 -82.29 133.91 35.26 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.838 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -147.02 153.09 39.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 21.4 t80 -138.59 142.63 39.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 110.967 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -106.44 136.24 46.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.722 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -92.16 -27.22 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.41 -37.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.433 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.19 20.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER 51.29 78.99 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.069 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.749 HG22 ' HB3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -141.74 124.73 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.022 0.439 . . . . 0.0 111.445 -179.624 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.858 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 m-85 -96.04 140.92 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.162 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 m -143.78 141.76 30.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.09 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.498 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 143.73 35.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 178.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.631 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.95 147.32 52.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.769 0.319 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.652 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -108.04 155.92 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -131.35 134.88 46.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.312 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.846 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -119.99 143.95 47.77 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.25 0.548 . . . . 0.0 111.99 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.706 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.9 mp -139.53 116.29 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.222 176.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 7' ' ' LEU . 2.1 mp -99.42 135.74 40.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 0.0 111.352 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -132.13 94.25 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 pttp . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.485 0.183 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.652 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -142.98 157.06 44.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -123.5 160.32 27.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.946 0.403 . . . . 0.0 111.452 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.46 142.97 8.44 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.62 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.8 pp -136.58 143.19 36.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.938 0.399 . . . . 0.0 111.553 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.658 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.3 mmtt -143.77 144.24 31.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.426 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.79 108.43 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.916 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.38 159.88 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.235 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.03 -29.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.011 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.32 -150.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -128.16 -38.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.32 -24.87 17.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.611 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 mm -70.49 -45.15 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.845 0.355 . . . . 0.0 110.736 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -63.91 -45.44 89.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.8 pt-20 -57.34 -31.33 65.61 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.482 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.6 -34.0 77.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.877 178.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.32 -36.24 19.4 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 121.957 0.884 . . . . 0.0 110.805 179.06 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.691 ' CB ' HD22 ' A' ' 5' ' ' LEU . 21.2 m-30 -63.19 -40.35 97.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.897 -1.502 . . . . 0.0 107.563 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 14.3 ptmt -78.94 -21.54 47.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.49 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 6.1 tp -67.53 -46.18 73.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.685 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.701 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.99 -34.26 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.742 178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.26 -31.59 69.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.998 0.428 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -85.34 -31.49 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.16 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.8 -32.3 52.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.905 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.701 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.3 mmtm -93.78 -55.99 3.05 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -105.32 -161.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.478 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.02 -64.4 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 3.0 tm-20 171.18 144.63 0.03 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.04 -157.19 8.09 Favored Glycine 0 CA--C 1.516 0.144 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.769 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 55' ' ' THR . 3.1 m -78.42 104.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 109.924 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 10.7 m95 -81.84 134.07 35.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.003 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.07 150.27 34.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.543 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 31.5 t80 -138.56 142.64 39.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.232 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -107.17 136.16 47.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.528 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -92.5 -28.1 17.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.024 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -34.82 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.371 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.01 13.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 33.8 mttm 49.93 78.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 0.0 111.224 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -146.21 128.06 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.821 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -97.34 142.26 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.368 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.7 m -143.67 139.68 29.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.53 139.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.605 178.564 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.677 ' O ' HG22 ' A' ' 42' ' ' VAL . 82.8 m -131.05 151.36 51.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.991 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.324 0.107 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.756 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -109.97 158.49 18.19 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.549 0.531 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 51' ' ' THR . 5.9 mttt -131.72 136.23 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.94 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -119.93 143.75 47.82 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.468 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.4 mm -137.44 116.5 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.322 177.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.877 HD13 ' HB3' ' A' ' 14' ' ' GLU . 5.0 mp -99.18 135.66 40.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -128.76 90.3 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 121.153 0.501 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.877 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -140.16 157.0 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -123.67 161.21 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 111.501 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.94 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -167.37 143.06 4.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.484 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.756 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.0 pt -140.23 142.7 30.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.935 0.398 . . . . 0.0 111.49 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.681 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 23.1 mmtt -142.73 141.56 31.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -112.2 108.21 17.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.58 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.02 160.64 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.419 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.1 p -69.41 -29.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -113.41 -151.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -124.54 -36.22 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 111.371 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.555 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.51 -29.22 31.07 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.583 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.599 HD13 ' HE3' ' A' ' 28' ' ' LYS . 16.3 mm -66.85 -41.49 87.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.634 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.95 -48.98 66.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.8 pt-20 -51.88 -33.89 38.69 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.664 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.823 ' O ' HD13 ' A' ' 32' ' ' LEU . 14.8 mttt -63.3 -43.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.878 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.635 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.9 -33.09 57.81 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 121.886 0.851 . . . . 0.0 111.292 179.351 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.6 m-30 -67.62 -42.66 82.0 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.056 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.3 pttt -76.55 -21.04 56.21 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.907 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -60.96 -55.74 29.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.984 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -82.63 -35.37 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.962 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -34.24 74.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.923 0.392 . . . . 0.0 110.079 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -77.83 -34.15 52.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.67 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.41 -33.52 63.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.379 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -75.86 -55.81 5.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.369 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.583 HG21 ' HG ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -137.36 -171.3 2.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.517 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 m -153.23 49.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -175.86 130.07 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.87 152.79 6.18 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.765 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 55' ' ' THR . 27.3 m -78.62 110.47 14.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 7.6 m95 -80.37 130.25 35.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.0 156.62 43.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.4 t80 -138.58 142.55 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -106.62 136.2 46.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -92.91 -28.13 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.96 -33.72 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.304 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.81 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 13.5 mttt 49.3 78.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 4' ' ' LYS . 73.1 m -146.49 128.28 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.402 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.865 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -94.96 143.18 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -143.88 142.72 30.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.207 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.522 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 132.9 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.686 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.927 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.06 118.13 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.418 -179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.932 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.912 0.386 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.745 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -108.37 158.08 17.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 51' ' ' THR . 2.4 mtmt -131.91 136.6 47.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.973 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.8 tp -120.07 143.96 47.84 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.797 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.5 mm -137.2 116.37 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.187 176.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.4 mp -100.18 132.35 45.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.923 0.392 . . . . 0.0 111.317 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.69 109.26 10.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.746 HD13 HG23 ' A' ' 38' ' ' THR . 1.4 pt? . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.963 0.411 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.737 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -98.53 157.1 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.349 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.7 160.61 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 111.835 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.973 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.78 142.92 4.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.419 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.5 pt -139.35 143.73 30.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.022 0.439 . . . . 0.0 111.749 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.669 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.5 mmtt -142.73 129.23 20.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.327 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.14 108.37 20.97 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 177.72 8.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 111.067 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.9 p -92.79 -30.08 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -106.08 -149.14 0.42 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -131.06 -40.54 1.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.302 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.566 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.97 -26.48 19.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.632 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.48 -43.06 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 110.805 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.625 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.71 -44.42 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.571 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -57.63 -32.07 66.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.562 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 29.4 mttm -63.89 -37.68 88.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.847 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.527 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -82.96 -36.32 25.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 121.851 0.834 . . . . 0.0 110.854 179.106 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CB ' HD22 ' A' ' 5' ' ' LEU . 20.0 m-30 -63.35 -41.04 98.83 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.06 -1.427 . . . . 0.0 107.549 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -78.71 -21.43 48.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.387 176.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -67.37 -45.5 76.11 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.63 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.57 -34.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.718 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -58.95 -31.21 68.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.041 0.448 . . . . 0.0 109.929 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -84.61 -33.45 23.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.896 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.45 -30.23 57.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.757 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.63 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.91 -55.89 3.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.757 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.746 HG23 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -111.18 -160.57 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.901 -179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.64 -62.85 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -172.86 -159.43 0.12 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.97 0.414 . . . . 0.0 110.593 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.12 -166.41 28.48 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 55' ' ' THR . 3.1 m -78.63 104.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.484 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 11.6 m95 -83.8 130.75 34.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.798 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -147.05 154.1 40.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.72 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.461 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 27.0 t80 -138.57 142.62 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.977 0.418 . . . . 0.0 110.986 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -111.36 136.27 50.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.765 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -89.86 -28.1 19.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.7 -32.5 3.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.634 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.99 19.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 111.533 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 4.7 mtpp 47.64 76.88 0.1 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.258 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 4' ' ' LYS . 30.8 m -145.05 129.15 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.467 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.2 m-85 -96.3 143.06 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -143.64 140.79 30.29 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.115 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.48 144.85 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.642 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.04 149.81 52.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.895 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.848 0.356 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.755 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-30 -85.36 157.49 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 51' ' ' THR . 20.3 mttt -130.85 134.99 47.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.897 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 17.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.708 ' HB ' HG23 ' A' ' 53' ' ' THR . 24.7 mm -137.94 116.36 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.19 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.9 mp -100.25 133.41 44.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.99 0.424 . . . . 0.0 111.679 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -132.37 96.37 3.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.617 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.92 ' CD1' HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.708 0.29 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HB3' HD13 ' A' ' 7' ' ' LEU . 4.6 mm-40 -135.96 157.04 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.797 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -122.7 162.16 22.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.966 0.413 . . . . 0.0 111.39 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -167.04 142.98 4.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.637 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.755 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.0 pt -138.34 142.33 35.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.947 0.403 . . . . 0.0 111.512 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.676 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 35.8 mmtt -143.14 104.02 4.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.477 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -81.53 108.34 15.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.144 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.62 -174.77 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 p -95.95 -30.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -106.31 -148.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.449 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -133.43 -42.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 111.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.54 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.99 -26.95 20.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.614 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.7 mm -68.54 -41.23 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.792 0.33 . . . . 0.0 110.779 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -68.14 -48.54 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.587 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -52.62 -32.75 43.26 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.576 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.609 ' O ' HD23 ' A' ' 32' ' ' LEU . 18.5 mttt -63.67 -46.36 85.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.743 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.609 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.8 -33.06 65.99 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 121.916 0.865 . . . . 0.0 111.166 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.676 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.92 -39.9 87.49 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.192 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 8.9 ptmt -79.46 -21.23 45.71 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.679 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -57.5 -57.76 11.24 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -79.63 -36.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -56.75 -35.57 68.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 110.104 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -76.44 -34.91 58.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.585 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -72.64 -31.05 64.82 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.292 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HG3' HG13 ' A' ' 33' ' ' ILE . 10.2 mttm -80.54 -55.83 4.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.203 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.92 HG21 ' CD1' ' A' ' 9' ' ' LEU . 10.7 t -139.24 -159.13 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.223 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 39' ' ' VAL . 13.1 p -166.69 30.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.722 0.296 . . . . 0.0 111.586 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -156.75 122.49 4.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.3 154.81 7.59 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.858 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 55' ' ' THR . 3.9 m -78.72 114.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 110.528 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.0 m95 -85.57 131.44 34.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.431 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.3 p -145.73 148.69 33.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 37.6 t80 -138.64 142.81 39.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.398 . . . . 0.0 111.31 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -110.49 136.09 50.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.447 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -89.97 -30.11 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.13 -35.2 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -128.78 0.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 8.1 mttt 54.42 70.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.069 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 4' ' ' LYS . 84.6 m -143.95 127.41 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.306 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.85 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 m-85 -94.57 142.56 27.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.378 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.708 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -143.67 140.68 30.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 -179.294 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 130.48 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.629 178.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.764 ' O ' HG22 ' A' ' 42' ' ' VAL . 17.9 m -122.54 134.44 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.122 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.89 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.476 0.179 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.698 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.7 m-30 -94.93 159.02 15.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 51' ' ' THR . 6.0 tttt -134.83 137.72 43.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.997 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.911 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.5 tp -120.15 144.01 47.9 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.155 0.502 . . . . 0.0 111.822 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.658 HD12 ' C ' ' A' ' 5' ' ' LEU . 4.0 mp -135.71 116.58 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.772 176.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 14' ' ' GLU . 4.5 mp -102.87 136.24 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 111.886 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -135.25 71.91 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.514 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 9' ' ' LEU . 1.6 mm? . . . . . 0 N--CA 1.468 0.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.748 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.553 0.216 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.833 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -109.04 157.1 19.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.01 159.31 25.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.148 0.499 . . . . 0.0 111.755 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.18 143.14 6.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.326 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.698 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.9 pp -138.61 142.9 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.095 0.474 . . . . 0.0 111.692 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.668 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -143.3 104.84 4.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 108.36 14.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.271 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.66 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -91.93 -29.71 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -101.61 -149.2 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.545 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -138.06 -42.64 0.52 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.539 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.04 -28.51 17.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.562 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.78 -40.53 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.54 -48.71 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.598 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -52.29 -33.95 44.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.555 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.4 mttt -62.35 -46.51 88.33 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.806 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -73.41 -33.48 65.0 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.936 0.874 . . . . 0.0 111.227 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CB ' HD22 ' A' ' 5' ' ' LEU . 19.8 m-30 -66.56 -40.73 89.17 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.191 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.28 -21.28 50.01 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.664 176.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -57.92 -56.6 19.91 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.489 ' O ' HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.53 -35.88 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 179.232 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -61.71 -33.17 73.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.92 0.39 . . . . 0.0 110.364 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -78.75 -31.98 46.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.808 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.91 -38.08 54.18 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.679 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -65.64 -55.9 15.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.96 -163.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.532 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 40' ' ' GLU . 1.3 t -142.78 -179.35 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.758 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.619 ' H ' HG12 ' A' ' 39' ' ' VAL . 9.3 mt-10 63.15 124.41 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.86 0.362 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.0 147.91 4.93 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.77 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 55' ' ' THR . 3.3 m -78.66 104.67 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.324 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -79.83 120.21 23.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.283 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.39 156.95 46.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.2 t80 -138.54 142.54 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -108.12 136.11 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -92.04 -28.91 16.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.02 -32.13 32.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.662 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -141.04 14.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 45' ' ' TYR . 1.1 mptt 47.56 77.39 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 4' ' ' LYS . 72.7 m -147.3 126.12 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.042 0.449 . . . . 0.0 111.489 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.868 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -93.18 142.83 26.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.926 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 m -143.91 141.64 30.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.231 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 127.32 74.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 178.471 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -114.04 133.43 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 111.084 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.003 0.43 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.661 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -91.85 153.8 19.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' CB ' HG23 ' A' ' 51' ' ' THR . 7.9 mttp -129.33 134.18 47.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 111.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.875 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.8 tp -120.07 143.88 47.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.373 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.694 HD12 ' C ' ' A' ' 5' ' ' LEU . 4.1 mp -140.6 116.21 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.575 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.6 mp -97.1 131.44 43.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.428 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.403 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -116.75 126.06 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.563 -179.478 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.837 HD11 HG23 ' A' ' 38' ' ' THR . 4.9 mp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.623 0.249 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.633 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -139.79 157.02 46.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.65 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.36 160.47 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.266 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.875 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.7 142.88 8.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.62 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.5 pp -139.25 139.09 40.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.453 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -141.33 109.21 5.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.318 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.83 116.61 14.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.35 174.1 1.04 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.25 -34.69 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 89.98 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.334 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.26 -32.14 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.02 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.3 -26.48 64.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.459 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 mm -74.16 -39.44 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.617 0.246 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.68 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -40.27 78.85 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.302 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -62.88 -32.23 73.43 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.488 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.49 -35.91 82.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.317 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.713 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.6 m-85 -87.14 -36.12 18.24 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.896 0.855 . . . . 0.0 110.888 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 15.7 m-30 -63.28 -39.25 94.05 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.994 -1.457 . . . . 0.0 107.239 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -83.66 -21.69 32.37 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.783 177.259 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD23 ' CD1' ' A' ' 29' ' ' TYR . 18.4 tp -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.692 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.782 HD11 ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -79.75 -39.19 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 178.606 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -54.8 -32.12 59.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.051 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -78.74 -32.7 46.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.011 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.62 34.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.939 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.782 ' CG ' HD11 ' A' ' 33' ' ' ILE . 3.8 mmtm -93.92 -55.86 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.837 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -80.99 -178.59 6.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.075 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 40' ' ' GLU . 11.5 p -122.33 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.486 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' HG13 ' A' ' 39' ' ' VAL . 34.8 tt0 178.33 140.82 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.079 0.466 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.36 -177.09 40.89 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.129 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 55' ' ' THR . 16.8 m -78.51 105.71 8.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.069 0.461 . . . . 0.0 110.327 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 6.9 m95 -81.59 134.56 35.51 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.52 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -146.94 153.58 40.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.724 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 t80 -138.77 142.61 38.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.864 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.9 136.37 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.54 -26.1 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HG2' HG23 ' A' ' 49' ' ' ILE . 63.3 tt0 -44.35 -53.49 6.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.387 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.711 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.6 25.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.647 0.26 . . . . 0.0 111.118 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 3.7 mptt 54.92 87.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.264 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.474 HG23 ' CB ' ' A' ' 4' ' ' LYS . 1.5 m -145.02 120.38 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.379 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.824 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-85 -94.35 140.57 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.223 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -143.76 141.92 30.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.943 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.521 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 145.45 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -131.21 128.43 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 121.133 0.492 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.629 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.5 m-30 -106.72 152.91 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.034 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -128.68 135.41 49.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.881 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.6 tp -119.98 144.07 47.69 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 112.075 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 5' ' ' LEU . 37.2 mm -135.51 116.11 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.748 HD22 ' HD3' ' A' ' 37' ' ' LYS . 1.2 mp -102.43 131.23 49.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.104 0.478 . . . . 0.0 111.752 -178.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.53 108.03 8.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.702 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.593 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.3 pt? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.46 0.171 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.544 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.1 tm-20 -116.14 157.07 25.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.82 162.05 19.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.352 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.881 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -159.54 143.06 14.51 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.797 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.677 ' O ' HD12 ' A' ' 17' ' ' ILE . 1.4 pp -138.49 134.89 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.568 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.785 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.99 134.05 29.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -106.05 108.76 20.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.338 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.13 178.65 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.507 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.11 -35.32 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.497 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.14 -150.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -115.18 -28.7 6.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.692 0.282 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.556 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.56 -29.91 61.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.826 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.44 -45.81 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.838 0.352 . . . . 0.0 111.302 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.676 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.86 -45.91 80.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.707 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -54.22 -31.77 54.09 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.732 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 10.7 mtmm -65.1 -42.77 93.72 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.203 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.579 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.6 m-85 -81.78 -35.65 29.32 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.854 0.835 . . . . 0.0 111.246 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.785 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -66.06 -34.43 78.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.161 -1.381 . . . . 0.0 107.557 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.4 ptmt -89.85 -21.45 22.55 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.838 176.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.579 HD23 ' CD1' ' A' ' 29' ' ' TYR . 49.8 tp -59.85 -53.1 61.89 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 120.371 -0.531 . . . . 0.0 109.925 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 36' ' ' ALA . 1.4 tp -82.47 -37.92 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.866 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' HB3' ' HZ2' ' A' ' 43' ' ' TRP . . . -57.83 -33.69 68.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.087 0.47 . . . . 0.0 109.992 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -77.64 -31.84 52.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.655 178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.496 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -77.53 -34.01 54.09 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.748 ' HD3' HD22 ' A' ' 7' ' ' LEU . 5.2 mtpm? -71.03 -55.83 7.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.061 0.457 . . . . 0.0 110.258 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -168.12 2.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.446 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 m -153.38 45.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.674 0.273 . . . . 0.0 111.562 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.46 127.95 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.901 0.381 . . . . 0.0 111.199 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.4 157.64 8.51 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.616 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG23 ' OG1' ' A' ' 55' ' ' THR . 5.1 m -78.7 110.92 14.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.028 0.442 . . . . 0.0 110.486 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.537 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.5 m95 -84.33 129.38 34.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.387 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -147.08 154.22 40.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 14.7 t80 -138.52 142.76 39.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.7 136.23 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -95.72 -28.57 14.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -32.52 35.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.62 16.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 49.04 80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.817 0.341 . . . . 0.0 111.163 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 4' ' ' LYS . 50.2 m -148.08 126.24 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.039 0.447 . . . . 0.0 111.468 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.802 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-85 -93.37 142.23 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.31 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.8 m -143.91 137.5 27.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.995 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.47 123.11 66.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.56 ' OG1' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -104.57 140.71 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.665 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.394 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.933 0.397 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.65 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.6 m-30 -103.04 151.99 21.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.294 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 51' ' ' THR . 4.5 mtpp -131.71 137.27 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.937 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.4 tp -120.01 143.89 47.81 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.2 0.524 . . . . 0.0 111.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.756 HD13 ' O ' ' A' ' 5' ' ' LEU . 27.6 mm -140.13 116.4 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.352 176.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.9 mp -96.84 133.35 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.939 0.399 . . . . 0.0 111.164 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -136.03 84.06 2.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.124 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.825 HD11 HG21 ' A' ' 38' ' ' THR . 2.3 mm? . . . . . 0 N--CA 1.467 0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.804 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pttp . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 121.278 0.561 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -133.96 157.07 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.691 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.3 162.21 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.473 . . . . 0.0 111.543 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.937 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.72 143.01 4.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.305 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -138.66 143.99 30.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 0.0 111.677 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.698 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 10.9 mmtt -144.24 121.34 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.193 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.08 113.51 25.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.31 175.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.303 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.48 -31.15 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.82 90.24 5.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.446 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.605 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.42 -39.22 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.767 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.99 -25.87 57.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.439 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.9 mm -71.45 -39.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.698 0.285 . . . . 0.0 110.712 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.541 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.02 -46.15 75.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.7 pt-20 -57.03 -31.34 65.05 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.8 -39.41 93.54 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.072 178.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.63 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -81.42 -37.09 28.64 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-O 121.958 0.885 . . . . 0.0 110.688 179.195 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CB ' HD22 ' A' ' 5' ' ' LEU . 18.3 m-30 -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.985 -1.461 . . . . 0.0 107.307 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.4 ptmm? -80.17 -21.55 42.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.788 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.63 HD23 ' CE1' ' A' ' 29' ' ' TYR . 26.2 tp -65.56 -47.82 74.5 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 120.466 -0.494 . . . . 0.0 109.756 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.52 HG13 ' HG3' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -86.98 -35.09 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.759 178.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -37.52 83.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -74.61 -33.94 62.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.569 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.04 -23.97 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.76 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.52 ' HG3' HG13 ' A' ' 33' ' ' ILE . 12.0 mttm -87.26 -56.05 3.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.061 0.458 . . . . 0.0 110.739 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 9' ' ' LEU . 8.6 t -115.23 -158.88 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.917 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.575 HG22 ' HG2' ' A' ' 40' ' ' GLU . 12.1 p -104.36 -51.25 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.575 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER 165.59 148.37 0.02 OUTLIER 'General case' 0 C--O 1.231 0.105 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.86 -162.69 11.4 Favored Glycine 0 CA--C 1.517 0.215 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.676 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 42' ' ' VAL . 31.4 m -78.56 104.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.134 0.492 . . . . 0.0 110.016 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.9 m95 -83.24 132.86 35.03 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.132 -178.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.9 p -147.17 151.74 37.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.59 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.9 t80 -138.61 142.57 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' HD11 ' A' ' 49' ' ' ILE . 4.3 mttp -108.38 136.18 48.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.601 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.85 -28.93 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -34.05 27.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.482 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.669 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.49 13.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.651 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 9.8 mttt 47.85 75.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.293 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 4' ' ' LYS . 71.9 m -145.2 126.63 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 111.191 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.823 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -93.25 142.52 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 m -143.68 140.58 30.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.957 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.507 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.44 145.55 30.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.551 178.574 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.97 150.15 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.343 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.494 HG21 ' HD3' ' A' ' 50' ' ' LYS . 7.7 m . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.834 0.349 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.7 m -65.91 102.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.578 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 4.4 m-30 -84.67 161.14 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' O ' HG23 ' A' ' 51' ' ' THR . 4.0 ttpp -134.84 134.1 40.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.878 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 18.6 tp -119.89 143.99 47.65 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.233 0.539 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.711 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.6 mm -139.15 116.16 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.221 176.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.754 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -100.94 130.54 46.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 110.914 -178.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.9 136.85 54.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.173 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.78 HD11 HG23 ' A' ' 38' ' ' THR . 6.3 mp -128.89 -51.36 1.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.711 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.26 -59.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.719 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -128.08 -67.18 0.82 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.788 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.2 138.97 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -121.23 132.5 54.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.378 . . . . 0.0 110.999 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.754 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.7 mm-40 -98.28 157.13 16.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.727 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -125.55 161.97 25.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.012 0.434 . . . . 0.0 111.6 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.878 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.17 143.0 8.86 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.459 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.683 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -136.51 141.79 40.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.959 0.409 . . . . 0.0 111.515 -179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.682 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.9 mmtt -144.41 121.06 11.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.327 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -95.81 111.47 23.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.219 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.61 143.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.14 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.17 -32.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.938 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -77.36 86.97 3.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.554 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -45.17 -39.47 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.559 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.24 -25.61 54.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.396 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.0 mm -71.25 -40.61 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.726 0.298 . . . . 0.0 110.73 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.06 -47.96 75.48 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.098 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -54.8 -34.87 63.24 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.3 mmtt -61.25 -36.73 80.78 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.163 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -83.95 -35.74 23.77 Favored 'General case' 0 CA--C 1.499 -1.007 0 CA-C-O 121.947 0.879 . . . . 0.0 110.918 179.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.701 ' CB ' HD22 ' A' ' 5' ' ' LEU . 21.8 m-30 -63.75 -39.28 93.91 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-N 114.013 -1.449 . . . . 0.0 107.588 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 6.4 ptpt -81.37 -21.53 38.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.655 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 8.6 tp -66.18 -46.23 78.09 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.766 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.76 -32.6 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.742 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -60.69 -32.0 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.047 0.451 . . . . 0.0 110.071 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 1.2 t-20 -84.09 -32.24 24.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.013 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.02 -39.39 50.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.71 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.766 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.85 -56.0 3.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.78 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -84.82 -165.68 1.26 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 40' ' ' GLU . 4.4 m -128.91 -51.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.631 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' H ' HG23 ' A' ' 39' ' ' VAL . 2.0 pt-20 175.25 139.75 0.05 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.165 0.507 . . . . 0.0 111.119 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.66 -168.89 30.47 Favored Glycine 0 CA--C 1.517 0.198 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.048 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 55' ' ' THR . 30.9 m -78.66 107.86 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.05 0.452 . . . . 0.0 110.497 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.0 m95 -83.47 133.27 34.91 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.508 -178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.2 p -146.96 150.17 34.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.668 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.528 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 29.4 t80 -138.53 142.54 39.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.02 136.09 48.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.603 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -92.52 -28.69 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -32.41 37.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.456 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.24 15.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.942 -179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HD3' HG21 ' A' ' 1' ' ' THR . 0.0 OUTLIER 47.98 77.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.884 0.373 . . . . 0.0 111.236 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.8 m -143.17 127.66 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 111.379 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.821 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-85 -97.94 141.19 31.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.04 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 m -143.78 139.93 29.64 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.073 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.502 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 144.18 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 178.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.19 129.51 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.07 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.881 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.758 0.313 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.82 119.63 30.37 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -88.9 155.66 19.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.641 ' O ' HG23 ' A' ' 51' ' ' THR . 51.4 mttp -131.53 133.0 44.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.111 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.856 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.5 tp -119.93 143.94 47.71 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.311 0.577 . . . . 0.0 112.031 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.763 HD13 ' O ' ' A' ' 5' ' ' LEU . 39.4 mm -138.62 116.37 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.907 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.1 mp -102.35 130.38 49.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.076 0.465 . . . . 0.0 111.507 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.26 110.55 11.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.3 pt? -106.12 -27.83 10.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.39 -78.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.817 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -114.88 -35.04 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.798 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.56 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -78.53 139.92 38.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.972 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 135.93 53.62 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.861 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -124.16 157.29 35.04 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -123.27 162.42 22.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.156 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.856 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.37 143.11 4.97 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.945 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.3 pt -137.54 142.0 37.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.425 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.64 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 34.4 mmtt -143.6 104.06 4.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.614 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -72.76 112.4 8.77 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.56 172.4 1.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.062 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.2 p -102.65 -43.38 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' N ' HG13 ' A' ' 21' ' ' VAL . 23.5 t0 -66.43 88.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.34 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.58 -30.81 0.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.977 -179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -62.87 -27.97 71.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.514 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.1 mm -71.16 -40.23 74.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.748 0.309 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.63 -46.78 74.72 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.5 pt-20 -56.08 -31.45 63.23 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -64.4 -39.74 94.43 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.036 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.564 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -81.63 -37.67 27.2 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 122.03 0.919 . . . . 0.0 110.782 179.253 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.672 ' HZ ' ' HB3' ' A' ' 3' ' ' TYR . 19.7 m-30 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.455 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 12.3 ptpt -80.14 -21.52 43.06 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.429 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CE1' ' A' ' 29' ' ' TYR . 13.1 tp -67.32 -44.17 79.8 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.92 -33.53 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.88 -28.51 67.62 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.013 0.435 . . . . 0.0 110.149 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -88.66 -32.46 18.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.098 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.38 -37.57 57.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.903 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.779 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.1 mmtp -93.84 -55.86 3.09 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.84 -164.14 1.09 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.82 -61.58 2.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.423 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.8 156.15 0.05 Allowed 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.358 0.599 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -170.7 -155.84 10.83 Favored Glycine 0 C--N 1.319 -0.377 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.866 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 55' ' ' THR . 3.0 m -78.59 104.6 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 110.146 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.505 ' HA ' HG23 ' A' ' 54' ' ' VAL . 11.2 m95 -82.81 132.23 35.17 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.813 -178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -146.97 150.35 34.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.657 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.0 t80 -138.61 142.71 39.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.02 0.438 . . . . 0.0 111.345 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' HD3' HD11 ' A' ' 49' ' ' ILE . 10.4 mtpt -107.51 136.15 47.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.449 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -92.62 -28.68 16.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.044 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.84 -34.66 55.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.672 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.29 12.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 49.9 78.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 111.265 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 4' ' ' LYS . 62.3 m -147.14 127.07 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.827 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -96.41 142.94 27.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.35 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.644 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -143.75 138.11 28.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.084 -179.309 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.56 143.67 35.88 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.55 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.02 150.37 52.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.857 179.644 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.341 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.871 0.367 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 36.0 m -71.82 119.07 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.609 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.5 m-30 -101.26 152.95 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 1.9 mptt -130.4 135.6 48.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.095 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.924 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 17.3 tp -119.86 143.77 47.73 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.186 0.517 . . . . 0.0 111.656 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.811 HD13 ' O ' ' A' ' 5' ' ' LEU . 25.8 mm -137.78 116.41 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.808 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.226 176.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.4 mp -100.51 132.05 46.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.995 0.426 . . . . 0.0 111.4 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.81 106.82 8.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.468 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.7 pt? -114.87 -21.07 10.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.86 -77.77 0.06 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -131.48 -60.73 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.88 122.2 12.36 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 128.86 45.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.749 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' HB3' HD13 ' A' ' 7' ' ' LEU . 47.4 tp10 -101.04 157.0 17.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.443 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.35 162.25 23.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.072 0.463 . . . . 0.0 111.69 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.924 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 143.04 6.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.437 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -137.99 141.96 37.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.945 0.402 . . . . 0.0 111.616 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.689 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 5.7 mmtt -144.15 123.3 12.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.331 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.21 113.0 24.85 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.32 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.88 141.51 0.27 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.99 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 p -70.33 -32.24 49.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.197 0.523 . . . . 0.0 110.869 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -80.4 88.72 5.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.496 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.601 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.14 -33.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.715 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -58.39 -28.82 62.53 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.286 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.7 mm -68.75 -39.83 80.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.647 0.261 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.93 -46.79 73.69 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.286 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.0 pt-20 -54.92 -33.52 62.25 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.605 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 14.7 mtmt -61.98 -45.29 94.28 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.972 178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -75.78 -35.93 59.95 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.855 0.836 . . . . 0.0 111.203 179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.689 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 18.7 m-30 -63.59 -40.65 97.49 Favored 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 114.106 -1.406 . . . . 0.0 107.626 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 8.8 ptpt -80.82 -21.61 40.69 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.887 -1.052 . . . . 0.0 108.528 176.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.2 tp -67.51 -45.19 76.52 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.777 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -86.82 -31.41 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -59.79 -31.04 69.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.921 0.391 . . . . 0.0 110.113 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.9 -32.67 20.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.036 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -74.89 -38.63 61.84 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.825 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.777 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.0 mmmt -93.98 -55.88 3.06 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.581 ' OG1' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -96.6 -169.14 1.84 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.689 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.76 -63.33 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.627 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 1.1 tt0 172.14 143.46 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.999 0.428 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -161.84 -157.1 8.69 Favored Glycine 0 CA--C 1.518 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.062 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 42' ' ' VAL . 28.9 m -78.55 104.8 6.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.055 0.455 . . . . 0.0 110.451 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.4 m95 -81.91 132.5 35.27 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.576 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -146.94 148.32 31.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.711 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.7 t80 -138.52 142.62 39.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.969 0.414 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.2 136.44 52.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.813 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -86.1 -26.39 25.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.654 ' HG3' HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -42.55 -41.31 2.96 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.526 -179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.654 HD13 ' HG3' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -146.6 22.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 111.384 179.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 7.7 mptt 51.48 80.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -141.36 128.57 20.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 111.456 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.858 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-85 -102.46 140.33 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.045 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -143.91 141.18 30.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.171 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 144.29 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.639 178.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.92 151.88 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.652 HG21 ' HD2' ' A' ' 50' ' ' LYS . 1.2 m . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.819 0.342 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 m -73.26 118.46 16.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.637 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.7 m-30 -100.13 160.05 14.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -133.73 136.71 44.81 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.848 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.3 tp -120.19 143.82 48.04 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.918 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 5' ' ' LEU . 20.6 mm -137.28 116.42 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 115.356 -0.838 . . . . 0.0 108.987 176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.2 mp -105.76 135.79 46.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.255 0.55 . . . . 0.0 111.94 -178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.99 108.15 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.393 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.776 HD21 ' HB3' ' A' ' 12' ' ' ALA . 2.3 pt? -108.34 -27.81 9.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.077 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -176.19 -80.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.987 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -126.24 25.41 6.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.237 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.776 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -131.94 112.56 12.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.315 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -97.67 122.14 40.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.945 0.402 . . . . 0.0 110.496 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.659 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -117.41 156.97 27.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.884 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.17 162.31 27.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.003 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.848 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.89 143.02 4.44 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.032 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.2 pt -137.31 142.4 37.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.683 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 19.6 mmtt -143.44 136.87 28.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.578 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.79 108.49 19.32 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.771 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.09 170.17 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.398 . . . . 0.0 111.382 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -80.55 -30.12 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.05 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -110.25 -149.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.494 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -128.24 -38.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.249 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.94 -24.87 21.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.7 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.3 mm -70.84 -44.47 76.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.588 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -63.96 -45.67 88.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.464 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.2 pt-20 -56.8 -32.9 66.16 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.529 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -63.29 -34.32 77.44 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.923 178.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.58 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.03 -36.07 19.95 Favored 'General case' 0 CA--C 1.499 -0.987 0 CA-C-O 121.994 0.902 . . . . 0.0 110.798 178.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CB ' HD22 ' A' ' 5' ' ' LEU . 20.8 m-30 -63.01 -39.9 96.17 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-N 113.966 -1.47 . . . . 0.0 107.583 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.4 ptmt -80.66 -21.43 41.41 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.656 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 7.0 tp -66.99 -45.15 78.49 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.93 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.565 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -89.17 -35.32 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.753 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.68 -30.35 68.7 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.921 0.391 . . . . 0.0 110.065 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -87.77 -31.92 19.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.047 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.23 -28.24 57.08 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.787 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.565 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -90.86 -48.6 6.92 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.489 179.588 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.6 p -151.6 -150.83 0.36 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.495 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.648 HG22 ' H ' ' A' ' 40' ' ' GLU . 2.4 p -173.0 178.56 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 121.33 -0.148 . . . . 0.0 110.992 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.648 ' H ' HG22 ' A' ' 39' ' ' VAL . 2.1 tt0 62.6 136.16 0.01 OUTLIER 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.169 0.509 . . . . 0.0 111.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 143.16 157.19 7.05 Favored Glycine 0 C--N 1.323 -0.176 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.787 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.4 m -78.67 105.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.167 0.508 . . . . 0.0 110.301 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.2 m95 -80.26 124.69 29.04 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.515 -178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 p -146.94 160.73 41.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.776 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 18.6 t80 -138.49 137.83 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -102.5 136.2 42.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -90.91 -26.55 19.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -45.71 -32.66 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.34 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.646 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -152.32 22.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.681 0.277 . . . . 0.0 111.676 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.652 ' HD2' HG21 ' A' ' 1' ' ' THR . 5.1 mttp 49.28 78.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 4' ' ' LYS . 55.0 m -145.9 123.12 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.426 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.838 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -89.95 142.24 27.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.918 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.2 m -143.81 142.02 30.67 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.231 -0.441 . . . . 0.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.42 123.38 67.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.28 178.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.488 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -104.83 140.92 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.332 . . . . 0.0 111.11 -179.707 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.142 -0.933 . . . . 0.0 111.425 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.735 0.302 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.5 m -91.33 126.85 36.55 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.789 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.721 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.2 m-30 -110.9 154.98 23.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 51' ' ' THR . 3.4 mppt? -131.62 138.54 48.83 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.15 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.949 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.7 tp -120.19 144.01 47.93 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.646 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.73 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.7 mp -136.93 116.25 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.235 176.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.7 mp -98.99 132.16 44.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.075 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -124.81 103.25 7.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -126.84 -172.21 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.59 66.26 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.671 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HB2' HD21 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -172.26 -76.26 0.01 OUTLIER 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.824 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.01 -167.75 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.669 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.8 144.88 32.8 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.0 mp0 -126.35 157.12 39.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.559 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -121.22 159.82 25.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.176 0.513 . . . . 0.0 111.757 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.949 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.56 142.96 6.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.356 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -138.58 143.75 31.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 120.961 0.41 . . . . 0.0 111.632 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.703 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.3 mmtt -141.36 123.63 15.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.408 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.99 108.61 19.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.703 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -152.01 163.18 39.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.022 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.57 -29.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.527 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -97.22 -146.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.448 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.561 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -139.52 -43.61 0.45 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.15 -25.21 17.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.497 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 mm -70.12 -43.2 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.845 0.355 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.28 -47.41 76.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.417 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -54.77 -33.19 61.03 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.866 ' O ' HD13 ' A' ' 32' ' ' LEU . 2.7 mmtt -63.15 -36.52 83.9 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.001 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.681 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.72 -34.68 24.85 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.957 0.884 . . . . 0.0 110.976 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.3 m-30 -64.82 -41.35 95.82 Favored 'General case' 0 N--CA 1.428 -1.53 0 CA-C-N 113.822 -1.535 . . . . 0.0 108.007 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 20.6 ptmt -76.24 -21.4 56.4 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.879 -1.055 . . . . 0.0 108.799 177.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.866 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -61.12 -56.78 16.91 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.001 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.583 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -80.35 -36.38 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.716 179.133 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -58.79 -38.1 77.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.905 0.383 . . . . 0.0 110.159 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.607 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.9 -28.56 58.13 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.509 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -82.4 -55.98 4.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.539 179.627 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.3 p -112.3 -164.55 0.92 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.783 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -146.47 16.84 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 168.67 153.19 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.293 0.568 . . . . 0.0 110.93 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.8 164.4 13.48 Favored Glycine 0 CA--C 1.518 0.261 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.374 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.6 m -78.7 115.64 21.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.943 0.402 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 6.5 m95 -91.57 133.33 35.63 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.619 -178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 p -147.14 154.37 41.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 20.2 t80 -138.53 142.49 39.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.824 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -109.53 136.11 49.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -91.98 -28.45 17.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -49.49 -29.08 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.42 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.644 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.67 17.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.77 72.4 0.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 111.191 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.7 m -143.24 133.01 23.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.989 0.423 . . . . 0.0 111.376 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.843 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -97.82 143.46 28.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.35 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 50.4 m -143.6 141.76 30.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.905 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.42 145.59 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.792 178.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -129.29 145.26 51.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.026 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.977 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.958 0.408 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.09 118.36 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.856 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.542 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 3.5 m-30 -101.94 151.8 21.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 51' ' ' THR . 13.1 mtmt -127.95 135.22 49.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.053 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.911 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.7 tp -120.2 143.82 48.04 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.374 0.607 . . . . 0.0 112.023 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 5' ' ' LEU . 33.5 mm -137.1 116.21 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.09 -0.959 . . . . 0.0 108.914 176.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.6 mp -100.57 132.55 45.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.077 0.465 . . . . 0.0 111.701 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.25 106.52 7.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.716 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.855 ' CD1' HG21 ' A' ' 38' ' ' THR . 2.3 pt? -109.24 26.56 10.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.65 34.78 7.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -150.55 -76.24 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.748 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.13 175.39 5.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -119.21 128.16 53.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.843 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.825 ' HB3' HD13 ' A' ' 7' ' ' LEU . 5.6 mm-40 -117.35 157.06 26.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.71 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -126.47 162.32 25.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.254 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.45 143.05 4.88 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.943 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.492 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 3.4 pt -142.29 134.06 26.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.142 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.792 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.78 131.99 26.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.938 0.399 . . . . 0.0 111.22 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.49 108.52 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.466 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.84 169.12 17.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.91 -30.66 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.047 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -118.05 -151.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.453 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -120.88 -32.91 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 111.351 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.553 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -54.56 -29.67 48.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.727 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.9 mm -65.86 -44.81 92.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.9 0.381 . . . . 0.0 111.345 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.696 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.34 -45.82 78.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.769 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -54.27 -31.45 53.74 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.751 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 10.4 mtmt -64.6 -45.01 88.76 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.11 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.638 ' CE1' HD23 ' A' ' 32' ' ' LEU . 2.2 m-85 -79.73 -36.03 38.0 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-O 121.851 0.834 . . . . 0.0 111.28 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.792 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -64.8 -34.22 77.84 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.148 -1.387 . . . . 0.0 107.831 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 15.2 ptpt -89.69 -21.38 22.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.667 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' CE1' ' A' ' 29' ' ' TYR . 26.5 tp -63.92 -46.5 84.49 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 120.566 -0.454 . . . . 0.0 109.945 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.626 HD11 ' HG2' ' A' ' 37' ' ' LYS . 1.4 tp -86.87 -36.62 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.95 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HB3' ' HZ2' ' A' ' 43' ' ' TRP . . . -60.61 -31.75 70.91 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.937 0.399 . . . . 0.0 110.222 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -83.75 -31.77 25.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.963 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.76 -58.0 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.642 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.626 ' HG2' HD11 ' A' ' 33' ' ' ILE . 7.1 mmtt -55.47 -55.8 27.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.855 HG21 ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -148.06 -155.97 0.68 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.653 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.745 HG13 ' CG ' ' A' ' 40' ' ' GLU . 2.7 p -166.24 -179.53 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.841 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.745 ' CG ' HG13 ' A' ' 39' ' ' VAL . 5.6 mt-10 62.92 127.21 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.78 158.67 8.39 Favored Glycine 0 C--N 1.329 0.183 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.553 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.433 HG23 ' OG1' ' A' ' 55' ' ' THR . 3.2 m -78.71 104.71 6.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.004 0.43 . . . . 0.0 110.645 179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.518 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 4.9 m95 -78.89 127.77 32.46 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.103 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -146.82 155.35 42.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.531 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 18.3 t80 -138.61 142.69 39.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.953 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -104.97 136.17 44.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.654 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -95.1 -28.29 15.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -52.6 -35.04 53.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.689 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.2 14.36 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER 50.72 80.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.825 0.345 . . . . 0.0 111.173 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 4' ' ' LYS . 90.0 m -148.13 126.34 12.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.024 0.44 . . . . 0.0 111.484 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.803 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-85 -93.51 142.39 27.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.165 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 m -143.89 138.15 28.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.089 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.518 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.63 125.19 70.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.57 178.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.433 ' OG1' HG23 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -108.24 139.48 42.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.01 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.269 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.563 HG21 ' HD3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.769 0.319 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 2' ' ' THR . 14.0 t -72.51 119.99 17.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.687 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-30 -103.74 154.42 19.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.651 ' O ' HG23 ' A' ' 51' ' ' THR . 1.6 mptm? -131.44 135.29 47.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.941 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.9 tp -119.98 143.83 47.82 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 121.198 0.523 . . . . 0.0 111.812 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.8 HD13 ' O ' ' A' ' 5' ' ' LEU . 22.9 mm -137.96 116.51 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.154 176.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.765 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.3 mp -101.68 135.49 43.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.099 0.476 . . . . 0.0 111.769 -178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.16 105.57 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.665 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.9 pt? -113.29 -23.26 10.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -157.11 -79.22 0.08 Allowed 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -130.0 -61.21 1.0 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.938 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.37 126.72 28.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.039 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 135.97 39.0 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 110.715 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.765 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.0 mm-40 -104.02 157.06 17.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.492 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -122.97 161.6 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.016 0.436 . . . . 0.0 111.56 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.941 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.81 142.87 4.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.474 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.705 ' O ' HD12 ' A' ' 17' ' ' ILE . 1.6 pp -137.98 142.53 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 0.0 111.606 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.676 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -144.01 136.85 27.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.218 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.41 116.07 30.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.75 148.78 0.56 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -73.45 -30.94 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -86.7 91.03 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.585 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.553 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.36 -34.51 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.662 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.574 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.87 -26.74 55.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.475 HD13 ' HE2' ' A' ' 28' ' ' LYS . 19.3 mm -70.12 -38.64 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.68 0.276 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.607 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.46 -45.37 76.18 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.338 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.9 pt-20 -56.56 -33.2 65.9 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.588 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 7.4 mtmm -63.07 -43.19 99.26 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.127 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.585 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -77.6 -34.88 53.34 Favored 'General case' 0 CA--C 1.5 -0.966 0 CA-C-O 121.874 0.845 . . . . 0.0 111.098 179.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CB ' HD22 ' A' ' 5' ' ' LEU . 18.5 m-30 -64.65 -38.48 91.15 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.731 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -84.8 -21.36 29.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.766 -1.106 . . . . 0.0 108.661 176.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 6.2 tp -65.98 -45.25 82.34 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.573 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.86 -34.94 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.775 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -57.96 -30.68 66.18 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 110.079 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -87.66 -33.03 18.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.948 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.93 -27.12 60.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.802 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.573 ' CG ' HD11 ' A' ' 33' ' ' ILE . 4.0 mmtm -92.94 -50.87 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.671 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.2 t -148.72 -151.68 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.464 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 40' ' ' GLU . 2.1 p -172.92 179.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 121.271 -0.172 . . . . 0.0 111.024 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.662 ' H ' HG22 ' A' ' 39' ' ' VAL . 12.5 tp10 62.61 135.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.206 0.527 . . . . 0.0 111.308 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.21 156.3 6.75 Favored Glycine 0 C--N 1.323 -0.157 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.74 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 55' ' ' THR . 5.3 m -78.73 105.44 7.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.046 0.45 . . . . 0.0 110.259 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.59 ' HA ' HG23 ' A' ' 54' ' ' VAL . 7.3 m95 -78.56 125.11 28.91 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.374 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 p -146.94 157.54 43.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 8.6 t80 -138.5 124.53 20.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -99.64 136.33 39.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.475 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 49' ' ' ILE . 11.5 t0 -62.56 -99.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.35 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 50.49 -81.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.675 0.274 . . . . 0.0 111.196 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.716 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -134.93 29.92 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.163 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HD3' HG21 ' A' ' 1' ' ' THR . 0.0 OUTLIER 62.33 93.77 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.085 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 4' ' ' LYS . 66.4 m -149.97 132.85 16.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.284 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.83 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.7 m-85 -104.05 143.2 33.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.48 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.8 m -143.89 140.85 29.98 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.055 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.59 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.37 123.17 66.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.294 178.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.793 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -109.51 130.36 55.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.06 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.929 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.858 0.361 . . . . 0.0 111.349 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.77 123.11 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.641 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -103.09 151.47 22.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.084 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 51' ' ' THR . 3.0 tttt -131.87 135.98 47.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.237 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.972 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 18.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.244 0.545 . . . . 0.0 112.009 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 5' ' ' LEU . 37.7 mm -139.36 116.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.056 176.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' A' ' 14' ' ' GLU . 4.6 mp -103.79 141.61 35.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.011 0.434 . . . . 0.0 111.75 -178.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.94 106.75 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.767 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.814 HD21 ' HB3' ' A' ' 12' ' ' ALA . 2.4 pt? -112.4 -37.22 5.04 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.158 -179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt 177.15 94.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.934 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.09 19.95 2.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.68 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.814 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -133.43 113.91 13.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.804 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -103.25 126.36 50.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.187 0.518 . . . . 0.0 110.825 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.837 ' HB3' HD13 ' A' ' 7' ' ' LEU . 5.1 tp10 -114.33 144.18 43.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.281 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -109.0 160.06 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 111.516 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.972 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.77 142.86 4.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.465 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 3' ' ' TYR . 2.8 pt -141.74 141.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.699 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 6.4 mmtt -142.91 105.66 4.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.283 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -77.95 122.54 25.65 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.03 160.46 8.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -82.43 -28.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.198 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.97 -146.03 0.11 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -152.76 -44.69 0.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.504 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -53.61 -24.33 24.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.269 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.4 mm -70.05 -42.75 79.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 110.745 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.526 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.68 -47.88 73.98 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.396 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -53.91 -35.53 61.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -60.31 -40.58 91.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.166 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.59 -39.41 31.76 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-O 122.02 0.914 . . . . 0.0 110.975 179.315 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.699 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.1 m-30 -60.48 -40.49 91.46 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 113.905 -1.498 . . . . 0.0 107.729 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 6.3 ptpt -82.0 -21.48 37.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.614 176.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.621 HD23 ' CE1' ' A' ' 29' ' ' TYR . 24.1 tp -61.95 -46.49 89.06 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.092 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.609 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.1 tp -90.26 -35.59 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.765 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.562 ' HB2' HD21 ' A' ' 7' ' ' LEU . . . -61.26 -28.25 69.04 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -88.31 -31.7 18.82 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.831 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.27 -30.35 54.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.729 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.609 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.5 mmmt -91.27 -46.59 7.97 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.397 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.1 -160.47 1.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.396 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.759 HG13 ' OE2' ' A' ' 40' ' ' GLU . 14.7 p -178.3 35.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.579 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.759 ' OE2' HG13 ' A' ' 39' ' ' VAL . 6.0 mm-40 -149.88 118.0 6.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.9 158.61 9.15 Favored Glycine 0 CA--C 1.516 0.146 0 C-N-CA 120.531 -0.842 . . . . 0.0 112.905 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 55' ' ' THR . 3.4 m -78.63 107.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.083 0.468 . . . . 0.0 110.265 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -78.57 128.19 33.19 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.444 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.6 p -146.88 150.48 35.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.795 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.3 t80 -138.53 142.58 39.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -110.97 136.2 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.614 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.27 -28.97 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.984 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.16 -34.96 59.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.668 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -135.1 8.93 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.8 OUTLIER 50.64 76.13 0.16 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.353 . . . . 0.0 111.246 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 4' ' ' LYS . 90.7 m -146.25 125.42 12.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.008 0.433 . . . . 0.0 111.524 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-85 -94.58 141.27 28.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.914 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -144.04 140.31 29.46 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.508 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.55 137.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.181 178.126 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -128.31 128.01 43.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.979 0.419 . . . . 0.0 111.316 -179.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.786 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.739 0.304 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -74.91 117.53 16.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.013 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.538 ' OH ' ' HB2' ' A' ' 23' ' ' ALA . 4.1 m-30 -99.36 154.35 18.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.653 ' O ' HG23 ' A' ' 51' ' ' THR . 1.0 OUTLIER -128.16 136.22 50.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.938 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -120.06 143.88 47.87 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.086 0.469 . . . . 0.0 111.675 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 5' ' ' LEU . 27.8 mm -138.52 116.26 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.357 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.8 mp -97.27 131.09 44.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.976 0.417 . . . . 0.0 111.016 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.27 92.94 3.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.093 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.2 pt? -111.59 -163.78 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.457 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' N ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -91.17 41.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.016 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' HB2' HD21 ' A' ' 9' ' ' LEU . 3.8 mm100 -141.71 -72.87 0.33 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' H ' HD21 ' A' ' 9' ' ' LEU . . . -153.86 -165.85 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.208 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.33 144.98 36.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.331 0.586 . . . . 0.0 110.471 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.716 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.4 mp0 -132.91 157.06 46.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.86 162.31 24.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.501 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.938 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.29 142.98 5.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.626 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -140.41 136.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.702 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.752 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.58 138.94 31.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.848 179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -105.32 119.21 38.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.21 135.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.199 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.55 -30.31 49.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.01 91.97 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.559 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -43.83 -30.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.665 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.548 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -59.98 -26.83 63.77 Favored Glycine 0 CA--C 1.52 0.363 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.384 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.2 mm -69.61 -43.52 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.688 0.28 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.24 -44.09 84.73 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.576 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.1 pt-20 -57.16 -31.42 65.38 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.48 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.605 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.0 mmtt -65.85 -40.68 91.95 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.464 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.596 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 m-85 -83.11 -35.12 25.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 121.879 0.847 . . . . 0.0 110.988 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.752 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.9 m-30 -64.25 -34.86 79.09 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.042 -1.435 . . . . 0.0 107.537 178.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 12.8 ptmt -89.69 -21.38 22.76 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 114.638 -1.164 . . . . 0.0 108.914 177.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 8.4 tp -64.66 -46.85 80.73 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 120.529 -0.468 . . . . 0.0 109.811 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -86.32 -35.05 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.859 178.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -59.61 -36.81 77.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -77.43 -31.54 54.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.513 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.473 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -74.83 -30.96 61.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.222 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 33' ' ' ILE . 2.5 mttp -81.73 -55.95 4.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.252 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.5 -156.75 0.76 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.137 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.7 p -170.91 43.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 178.4 137.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.048 0.451 . . . . 0.0 111.077 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 148.34 164.88 11.68 Favored Glycine 0 C--N 1.324 -0.106 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -81.38 115.97 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.266 179.573 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.564 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.2 m95 -89.89 130.99 36.04 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.69 -178.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.7 p -147.07 155.51 42.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.473 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 4.5 t80 -138.64 142.55 39.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.717 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -107.21 136.17 47.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.708 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -96.15 -28.17 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -50.9 -31.04 16.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.665 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.99 18.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.366 . . . . 0.0 111.46 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 47.41 75.69 0.12 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.925 0.393 . . . . 0.0 111.252 179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.1 m -145.12 127.84 16.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.359 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.826 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 m-85 -93.98 141.76 28.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.353 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.6 m -143.84 141.63 30.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.99 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.564 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 123.8 68.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.581 178.652 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 42' ' ' VAL . 4.5 m -105.13 144.15 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.131 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.733 0.301 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 m -86.85 130.84 34.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.317 0.58 . . . . 0.0 110.981 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.762 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.7 m-30 -104.69 158.19 16.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.783 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 51' ' ' THR . 2.4 mtpp -129.09 134.71 48.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.904 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.3 tp -119.89 143.83 47.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 111.689 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 5' ' ' LEU . 25.0 mm -137.05 116.17 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.256 176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.8 mp -100.81 132.75 46.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.152 -178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.45 97.99 4.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.153 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.866 HD22 HG23 ' A' ' 38' ' ' THR . 0.6 OUTLIER -123.16 172.81 8.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.353 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' N ' HD12 ' A' ' 9' ' ' LEU . 4.1 mmtt -67.61 72.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.996 0.427 . . . . 0.0 110.905 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.429 ' HB2' HD11 ' A' ' 9' ' ' LEU . 2.8 mt-30 -177.68 -76.55 0.01 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.677 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.65 -176.96 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.687 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.42 153.21 23.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.761 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 7' ' ' LEU . 1.6 tt0 -141.48 157.11 45.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.627 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -121.96 162.25 21.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.402 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.51 143.16 8.46 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.822 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.2 pp -141.96 135.09 28.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.793 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -138.68 141.8 39.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.201 -179.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -112.09 108.19 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.781 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.54 170.9 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.354 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 p -76.19 -30.81 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.23 -150.09 0.45 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -117.49 -29.54 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 111.311 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.98 -28.48 60.95 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.832 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.31 -45.16 90.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.792 0.33 . . . . 0.0 110.991 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.01 -49.28 65.79 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.725 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 12.5 pt-20 -52.17 -29.12 20.79 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.686 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.8 mmpt? -68.16 -41.39 81.62 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.303 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.581 ' CE1' HD23 ' A' ' 32' ' ' LEU . 2.4 m-85 -82.74 -35.38 26.69 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 121.831 0.824 . . . . 0.0 111.057 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.793 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 14.5 m-30 -64.78 -34.23 77.85 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.572 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -89.69 -21.37 22.76 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.619 -1.173 . . . . 0.0 108.71 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 29' ' ' TYR . 23.2 tp -65.43 -46.99 77.76 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.032 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.631 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -85.42 -33.61 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.821 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -57.72 -30.98 65.98 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 121.003 0.43 . . . . 0.0 110.094 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -84.85 -37.01 21.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.658 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.46 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -70.58 -31.46 68.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.461 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.631 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.9 mmtt -93.78 -53.52 3.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.517 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.866 HG23 HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -117.71 -177.07 3.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 38' ' ' THR . 2.7 m -162.42 40.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.486 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.21 132.19 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.844 0.354 . . . . 0.0 111.341 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.49 160.96 10.04 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 42' ' ' VAL . 27.8 m -78.67 113.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 121.021 0.439 . . . . 0.0 110.377 179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 5.8 m95 -84.06 131.54 34.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.699 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.2 p -147.07 151.29 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 13.8 t80 -138.58 142.62 39.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.972 0.415 . . . . 0.0 111.004 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -108.39 136.17 48.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.655 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -94.44 -28.9 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.55 -31.12 45.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -140.74 15.11 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.621 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mmmt 48.31 74.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.873 0.368 . . . . 0.0 111.087 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.7 m -142.93 129.32 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.048 0.451 . . . . 0.0 111.629 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.831 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.1 m-85 -97.84 141.39 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.072 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.465 HG23 ' HB ' ' A' ' 6' ' ' ILE . 4.3 m -143.9 139.32 29.14 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.093 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.51 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.6 124.41 69.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.536 178.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.421 ' HB ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -105.2 151.22 24.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.075 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.778 0.323 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 2' ' ' THR . 13.5 t -94.93 121.88 37.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.769 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.674 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.2 m-85 -108.95 151.71 25.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 51' ' ' THR . 1.9 tttt -132.26 138.81 48.02 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.739 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.897 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.7 tp -120.08 143.8 47.93 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.242 0.544 . . . . 0.0 111.913 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.761 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.3 mp -135.3 116.46 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.338 -0.846 . . . . 0.0 108.797 176.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -106.05 136.14 46.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.468 . . . . 0.0 111.824 -178.216 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.16 115.65 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.622 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -123.36 -39.26 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.231 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' HB2' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -175.15 95.2 0.07 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.74 0.305 . . . . 0.0 111.222 179.647 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 51.22 22.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.721 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.45 113.28 12.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -103.93 121.98 44.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.092 0.472 . . . . 0.0 110.684 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.638 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -111.77 156.88 21.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.445 179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.53 159.72 27.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.093 0.473 . . . . 0.0 111.595 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.04 142.92 7.59 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.516 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.624 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.7 pp -137.76 145.03 29.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.083 0.468 . . . . 0.0 111.52 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 37.7 mmtt -142.26 121.12 12.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.292 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.5 115.33 25.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.177 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.69 177.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.335 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.67 -30.46 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.008 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.29 92.72 7.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.566 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -43.09 -40.39 3.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.874 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -56.94 -24.92 51.99 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.5 mm -71.5 -40.51 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.706 0.289 . . . . 0.0 110.602 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.556 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.44 -46.71 75.54 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.212 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.1 pt-20 -56.31 -32.06 64.28 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -64.59 -35.57 81.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.126 178.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.645 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -85.7 -33.74 21.44 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-O 121.904 0.859 . . . . 0.0 110.997 179.197 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.677 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.07 -39.78 90.34 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.52 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -78.64 -21.66 48.04 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.604 176.817 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.645 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 3.0 tp -69.07 -47.38 65.44 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.763 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -84.43 -32.41 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.755 178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 30' ' ' PHE . . . -59.48 -31.04 68.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 110.04 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -84.4 -33.41 23.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.08 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -76.6 -37.61 56.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.81 179.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.763 ' CG ' HD11 ' A' ' 33' ' ' ILE . 5.7 mmtt -93.83 -55.9 3.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.749 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -91.81 -160.93 0.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.091 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 40' ' ' GLU . 3.2 m -127.31 -54.24 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.649 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.463 ' H ' HG23 ' A' ' 39' ' ' VAL . 1.3 pt-20 169.54 142.73 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.074 0.464 . . . . 0.0 111.235 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.2 -160.66 14.84 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.914 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 55' ' ' THR . 4.2 m -78.62 104.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.033 0.444 . . . . 0.0 110.274 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.515 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.3 m95 -81.57 131.67 35.28 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.69 -178.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 p -147.13 149.03 32.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.3 t80 -138.4 142.69 39.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.047 0.451 . . . . 0.0 111.098 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.7 136.09 52.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.525 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -90.12 -29.05 18.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.97 -32.29 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.185 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.724 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.57 14.06 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mttp 47.76 75.44 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.848 0.356 . . . . 0.0 111.172 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.5 m -144.96 128.42 16.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.04 0.448 . . . . 0.0 111.369 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.825 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 m-85 -97.14 142.09 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.297 179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.1 m -143.67 139.47 29.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.115 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.51 121.77 63.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.517 178.508 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.718 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -99.78 127.3 45.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.202 -179.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.74 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 2' ' ' THR . 14.8 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.619 0.247 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.427 ' N ' HG23 ' A' ' 1' ' ' THR . 4.3 m -129.14 123.31 31.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.661 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.3 m-85 -109.45 153.51 23.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.252 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.749 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -132.41 139.23 47.97 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.061 179.468 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 13.8 tp -119.98 144.02 47.72 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.823 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.747 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.5 mp -136.12 116.48 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.153 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.3 mp -101.55 132.28 47.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.981 0.419 . . . . 0.0 111.475 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.99 104.3 7.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.752 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.681 HD21 ' HB3' ' A' ' 12' ' ' ALA . 2.4 pt? -112.39 -37.13 5.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.168 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 178.95 97.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.863 0.364 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 50.37 22.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.681 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.681 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -134.21 113.9 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 122.19 45.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.684 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.687 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.5 mm-40 -111.56 156.99 20.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.356 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -120.62 159.15 25.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.159 0.504 . . . . 0.0 111.861 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.935 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -164.07 142.99 7.59 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.388 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.9 pp -138.38 143.72 32.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.923 0.392 . . . . 0.0 111.773 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.703 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 28.5 mmtt -142.72 121.62 12.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.307 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 1' ' ' THR . 0.6 OUTLIER -90.91 120.11 31.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.623 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.69 -178.44 7.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.0 p -99.77 -29.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -101.99 -148.84 0.38 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.554 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -135.41 -42.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.77 -25.68 15.83 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.4 -44.68 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.547 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -64.57 -48.27 75.63 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.476 -179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.9 pt-20 -53.6 -33.95 56.72 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.331 -0.548 . . . . 0.0 109.537 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.886 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.0 mmpt? -62.69 -36.59 83.41 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.978 178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.632 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -83.51 -34.63 25.28 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-O 121.93 0.872 . . . . 0.0 111.061 179.213 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.5 m-30 -64.9 -41.9 95.2 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 113.898 -1.501 . . . . 0.0 107.933 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -74.83 -21.41 59.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.729 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.886 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -63.28 -55.41 24.97 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.528 ' O ' HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -80.67 -36.94 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.131 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.33 -33.76 71.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.035 0.445 . . . . 0.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -77.79 -31.87 52.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.889 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.13 35.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.817 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -88.53 -55.88 3.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.728 179.701 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.21 -163.55 0.98 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.006 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 40' ' ' GLU . 31.5 m -120.1 -44.55 2.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.405 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 39' ' ' VAL . 19.1 tt0 -178.8 140.9 0.18 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.163 0.506 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.14 -175.81 34.53 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.203 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 55' ' ' THR . 3.3 m -78.61 105.38 7.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.162 0.506 . . . . 0.0 110.313 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.498 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 7.7 m95 -82.29 133.91 35.26 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.838 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.3 p -147.02 153.09 39.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.671 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.484 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 21.4 t80 -138.59 142.63 39.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.028 0.442 . . . . 0.0 110.967 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -106.44 136.24 46.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.722 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -92.16 -27.22 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -47.41 -37.75 12.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.433 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.625 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -145.19 20.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.2 OUTLIER 51.29 78.99 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.845 0.355 . . . . 0.0 111.069 -179.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.749 HG22 ' HB3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -141.74 124.73 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.022 0.439 . . . . 0.0 111.445 -179.624 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.858 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.5 m-85 -96.04 140.92 30.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.162 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 m -143.78 141.76 30.57 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.09 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.498 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 143.73 35.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 178.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.631 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.95 147.32 52.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.783 0.325 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -79.88 128.42 33.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.012 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.652 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.4 m-30 -108.04 155.92 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -131.35 134.88 46.76 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.312 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.846 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -119.99 143.95 47.77 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.25 0.548 . . . . 0.0 111.99 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.706 HD12 ' C ' ' A' ' 5' ' ' LEU . 3.9 mp -139.53 116.29 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.222 176.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 7' ' ' LEU . 2.1 mp -99.42 135.74 40.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.877 0.37 . . . . 0.0 111.352 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -132.13 94.25 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.927 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.9 136.15 15.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.038 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.63 35.37 24.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.79 15.45 5.91 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.416 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.68 112.69 24.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.749 0.309 . . . . 0.0 110.734 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -91.37 142.27 27.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.652 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -142.98 157.06 44.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -123.5 160.32 27.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.946 0.403 . . . . 0.0 111.452 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.46 142.97 8.44 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.62 179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.8 pp -136.58 143.19 36.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.938 0.399 . . . . 0.0 111.553 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.658 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.3 mmtt -143.77 144.24 31.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.426 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.79 108.43 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.916 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.38 159.88 42.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.235 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 p -70.03 -29.49 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.011 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -110.32 -150.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.598 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -128.16 -38.68 1.78 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.32 -24.87 17.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.611 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.5 mm -70.49 -45.15 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.845 0.355 . . . . 0.0 110.736 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.546 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -63.91 -45.44 89.27 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 11.8 pt-20 -57.34 -31.33 65.61 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 120.263 -0.575 . . . . 0.0 109.482 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -64.6 -34.0 77.25 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.877 178.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -86.32 -36.24 19.4 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-O 121.957 0.884 . . . . 0.0 110.805 179.06 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.691 ' CB ' HD22 ' A' ' 5' ' ' LEU . 21.2 m-30 -63.19 -40.35 97.26 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.897 -1.502 . . . . 0.0 107.563 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 14.3 ptmt -78.94 -21.54 47.07 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.49 176.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 6.1 tp -67.53 -46.18 73.56 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.685 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.701 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.2 tp -86.99 -34.26 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.742 178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -59.26 -31.59 69.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.998 0.428 . . . . 0.0 110.045 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -85.34 -31.49 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.16 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.8 -32.3 52.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.905 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.701 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.3 mmtm -93.78 -55.99 3.05 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.964 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -105.32 -161.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.478 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -110.02 -64.4 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 -179.804 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 3.0 tm-20 171.18 144.63 0.03 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.04 -157.19 8.09 Favored Glycine 0 CA--C 1.516 0.144 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.769 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 55' ' ' THR . 3.1 m -78.42 104.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.122 0.487 . . . . 0.0 109.924 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 10.7 m95 -81.84 134.07 35.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.003 -178.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.07 150.27 34.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.543 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 31.5 t80 -138.56 142.64 39.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 111.232 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -107.17 136.16 47.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.528 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -92.5 -28.1 17.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.024 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -34.82 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.371 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.671 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.01 13.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 33.8 mttm 49.93 78.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 0.0 111.224 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -146.21 128.06 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.821 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -97.34 142.26 29.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.368 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.7 m -143.67 139.68 29.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.109 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.491 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.53 139.98 48.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.605 178.564 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.677 ' O ' HG22 ' A' ' 42' ' ' VAL . 82.8 m -131.05 151.36 51.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.991 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.83 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.741 0.305 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 m -82.67 134.57 35.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.756 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -109.97 158.49 18.19 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.549 0.531 . . . . 0.0 110.968 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 51' ' ' THR . 5.9 mttt -131.72 136.23 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.94 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 16.2 tp -119.93 143.75 47.82 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.468 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.4 mm -137.44 116.5 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.322 177.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.877 HD13 ' HB3' ' A' ' 14' ' ' GLU . 5.0 mp -99.18 135.66 40.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.296 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -128.76 90.3 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -108.18 60.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.797 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 tttt 55.86 102.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.108 0.48 . . . . 0.0 110.905 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 56.94 19.07 4.29 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.681 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.37 117.63 21.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.52 135.04 54.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.834 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.877 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -140.16 157.0 46.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -123.67 161.21 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.4 . . . . 0.0 111.501 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.94 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -167.37 143.06 4.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.484 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.756 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.0 pt -140.23 142.7 30.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 120.935 0.398 . . . . 0.0 111.49 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.681 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 23.1 mmtt -142.73 141.56 31.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -112.2 108.21 17.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.58 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.02 160.64 40.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.419 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.1 p -69.41 -29.73 43.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -113.41 -151.17 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -124.54 -36.22 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 111.371 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.555 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -52.51 -29.22 31.07 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.583 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.599 HD13 ' HE3' ' A' ' 28' ' ' LYS . 16.3 mm -66.85 -41.49 87.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.634 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -66.95 -48.98 66.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.8 pt-20 -51.88 -33.89 38.69 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.664 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.823 ' O ' HD13 ' A' ' 32' ' ' LEU . 14.8 mttt -63.3 -43.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.878 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.635 ' CD1' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -76.9 -33.09 57.81 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-O 121.886 0.851 . . . . 0.0 111.292 179.351 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.6 m-30 -67.62 -42.66 82.0 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.056 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 16.3 pttt -76.55 -21.04 56.21 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.973 -1.012 . . . . 0.0 108.907 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.823 HD13 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -60.96 -55.74 29.33 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.984 179.078 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -82.63 -35.37 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.962 179.309 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -34.24 74.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.923 0.392 . . . . 0.0 110.079 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -77.83 -34.15 52.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.67 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.41 -33.52 63.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.379 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -75.86 -55.81 5.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.369 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.583 HG21 ' HG ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -137.36 -171.3 2.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.517 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.7 m -153.23 49.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -175.86 130.07 0.25 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 111.281 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.87 152.79 6.18 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.765 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 55' ' ' THR . 27.3 m -78.62 110.47 14.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.18 0.514 . . . . 0.0 110.221 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 7.6 m95 -80.37 130.25 35.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.685 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.0 156.62 43.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.695 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.478 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 25.4 t80 -138.58 142.55 39.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.402 . . . . 0.0 110.945 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -106.62 136.2 46.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.815 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -92.91 -28.13 16.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -49.96 -33.72 18.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.304 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -143.81 16.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 13.5 mttt 49.3 78.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 111.153 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 4' ' ' LYS . 73.1 m -146.49 128.28 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.402 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.865 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -94.96 143.18 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.284 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -143.88 142.72 30.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.207 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.522 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 132.9 70.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.686 178.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.927 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.06 118.13 20.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.418 -179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.932 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.853 0.359 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 t -93.79 140.74 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.745 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -108.37 158.08 17.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' O ' HG23 ' A' ' 51' ' ' THR . 2.4 mtmt -131.91 136.6 47.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.077 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.973 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.8 tp -120.07 143.96 47.84 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.797 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.684 HD13 ' O ' ' A' ' 5' ' ' LEU . 36.5 mm -137.2 116.37 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.187 176.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 14' ' ' GLU . 1.4 mp -100.18 132.35 45.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.923 0.392 . . . . 0.0 111.317 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -129.69 109.26 10.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.746 HD13 HG23 ' A' ' 38' ' ' THR . 1.4 pt? -116.78 -19.96 9.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' N ' HD23 ' A' ' 9' ' ' LEU . 2.0 mtpm? -159.23 -78.73 0.06 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.867 0.365 . . . . 0.0 110.738 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -131.38 -58.19 1.0 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.652 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.71 132.0 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.782 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.43 130.79 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.737 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -98.53 157.1 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.349 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.7 160.61 22.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 111.835 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.973 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.78 142.92 4.52 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.419 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 3' ' ' TYR . 4.5 pt -139.35 143.73 30.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.022 0.439 . . . . 0.0 111.749 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.669 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 36.5 mmtt -142.73 129.23 20.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.327 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.14 108.37 20.97 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.65 177.72 8.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.0 111.067 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.9 p -92.79 -30.08 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -106.08 -149.14 0.42 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.449 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -131.06 -40.54 1.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.819 0.342 . . . . 0.0 111.302 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.566 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.97 -26.48 19.21 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.632 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.9 mm -69.48 -43.06 81.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.907 0.384 . . . . 0.0 110.805 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.625 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.71 -44.42 86.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.571 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -57.63 -32.07 66.88 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.277 -0.569 . . . . 0.0 109.562 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.547 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 29.4 mttm -63.89 -37.68 88.3 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.847 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.527 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -82.96 -36.32 25.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 121.851 0.834 . . . . 0.0 110.854 179.106 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CB ' HD22 ' A' ' 5' ' ' LEU . 20.0 m-30 -63.35 -41.04 98.83 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.06 -1.427 . . . . 0.0 107.549 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.8 OUTLIER -78.71 -21.43 48.13 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.387 176.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -67.37 -45.5 76.11 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.63 HD11 ' CG ' ' A' ' 37' ' ' LYS . 1.3 tp -87.57 -34.27 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.718 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -58.95 -31.21 68.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.041 0.448 . . . . 0.0 109.929 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -84.61 -33.45 23.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.896 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.45 -30.23 57.28 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.757 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.63 ' CG ' HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -93.91 -55.89 3.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.757 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.746 HG23 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -111.18 -160.57 0.72 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.901 -179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.64 -62.85 2.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -172.86 -159.43 0.12 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.97 0.414 . . . . 0.0 110.593 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.12 -166.41 28.48 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 55' ' ' THR . 3.1 m -78.63 104.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.053 0.454 . . . . 0.0 110.161 179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.484 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 11.6 m95 -83.8 130.75 34.93 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.798 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -147.05 154.1 40.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.72 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.461 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 27.0 t80 -138.57 142.62 39.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.977 0.418 . . . . 0.0 110.986 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -111.36 136.27 50.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.765 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -89.86 -28.1 19.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -46.7 -32.5 3.61 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.634 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.99 19.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 111.533 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 4.7 mtpp 47.64 76.88 0.1 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.258 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 4' ' ' LYS . 30.8 m -145.05 129.15 17.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.467 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.2 m-85 -96.3 143.06 27.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.3 m -143.64 140.79 30.29 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.115 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.48 144.85 31.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.642 178.565 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -131.04 149.81 52.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 179.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.895 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 m -90.25 122.13 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.755 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.3 m-30 -85.36 157.49 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 51' ' ' THR . 20.3 mttt -130.85 134.99 47.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.236 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.897 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 17.0 tp -120.04 143.95 47.82 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.758 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.708 ' HB ' HG23 ' A' ' 53' ' ' THR . 24.7 mm -137.94 116.36 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.19 176.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.9 mp -100.25 133.41 44.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.99 0.424 . . . . 0.0 111.679 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -132.37 96.37 3.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.617 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.92 ' CD1' HG21 ' A' ' 38' ' ' THR . 0.9 OUTLIER -101.12 29.39 4.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 tttm 55.64 33.23 20.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -151.4 -58.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.002 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -140.62 146.88 38.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.764 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -94.94 144.38 25.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.64 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.627 ' HB3' HD13 ' A' ' 7' ' ' LEU . 4.6 mm-40 -135.96 157.04 47.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.797 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -122.7 162.16 22.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.966 0.413 . . . . 0.0 111.39 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.897 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -167.04 142.98 4.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.637 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.755 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.0 pt -138.34 142.33 35.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.947 0.403 . . . . 0.0 111.512 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.676 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 35.8 mmtt -143.14 104.02 4.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.477 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -81.53 108.34 15.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.144 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.62 -174.77 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 p -95.95 -30.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.188 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -106.31 -148.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.449 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.542 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -133.43 -42.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 111.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.99 -26.95 20.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.614 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.7 mm -68.54 -41.23 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.792 0.33 . . . . 0.0 110.779 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -68.14 -48.54 65.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.587 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -52.62 -32.75 43.26 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.576 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.609 ' O ' HD23 ' A' ' 32' ' ' LEU . 18.5 mttt -63.67 -46.36 85.95 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.743 178.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.609 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.8 -33.06 65.99 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 121.916 0.865 . . . . 0.0 111.166 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.676 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 20.4 m-30 -66.92 -39.9 87.49 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 114.07 -1.423 . . . . 0.0 108.192 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 8.9 ptmt -79.46 -21.23 45.71 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.679 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -57.5 -57.76 11.24 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 178.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.571 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -79.63 -36.24 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.843 179.111 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -56.75 -35.57 68.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 110.104 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -76.44 -34.91 58.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.585 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -72.64 -31.05 64.82 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.292 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HG3' HG13 ' A' ' 33' ' ' ILE . 10.2 mttm -80.54 -55.83 4.59 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.203 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.92 HG21 ' CD1' ' A' ' 9' ' ' LEU . 10.7 t -139.24 -159.13 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.223 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 39' ' ' VAL . 13.1 p -166.69 30.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.722 0.296 . . . . 0.0 111.586 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -156.75 122.49 4.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.844 0.354 . . . . 0.0 110.787 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 161.3 154.81 7.59 Favored Glycine 0 CA--C 1.517 0.164 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.858 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 55' ' ' THR . 3.9 m -78.72 114.01 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.992 0.425 . . . . 0.0 110.528 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 9.0 m95 -85.57 131.44 34.36 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.431 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.3 p -145.73 148.69 33.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 37.6 t80 -138.64 142.81 39.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.935 0.398 . . . . 0.0 111.31 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -110.49 136.09 50.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.447 179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -89.97 -30.11 18.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.948 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -54.13 -35.2 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.28 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.674 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -128.78 0.36 3.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 8.1 mttt 54.42 70.79 0.57 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.975 0.417 . . . . 0.0 111.069 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 4' ' ' LYS . 84.6 m -143.95 127.41 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.306 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.85 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 m-85 -94.57 142.56 27.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.378 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.708 HG23 ' HB ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -143.67 140.68 30.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 -179.294 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.506 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.41 130.48 74.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.629 178.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.764 ' O ' HG22 ' A' ' 42' ' ' VAL . 17.9 m -122.54 134.44 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 111.122 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.89 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.592 HG21 ' HD3' ' A' ' 50' ' ' LYS . 11.5 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.677 0.275 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -93.72 127.61 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.07 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.698 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.7 m-30 -94.93 159.02 15.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 51' ' ' THR . 6.0 tttt -134.83 137.72 43.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.997 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.911 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 14.5 tp -120.15 144.01 47.9 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.155 0.502 . . . . 0.0 111.822 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.658 HD12 ' C ' ' A' ' 5' ' ' LEU . 4.0 mp -135.71 116.58 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.373 -0.83 . . . . 0.0 108.772 176.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 14' ' ' GLU . 4.5 mp -102.87 136.24 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.1 0.476 . . . . 0.0 111.886 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -135.25 71.91 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.514 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 9' ' ' LEU . 1.6 mm? -87.99 -74.18 0.46 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.748 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -80.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.718 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -145.7 -54.28 0.28 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.63 177.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -126.58 132.31 51.33 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.788 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.833 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -109.04 157.1 19.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.568 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.01 159.31 25.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.148 0.499 . . . . 0.0 111.755 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -165.18 143.14 6.15 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.326 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.698 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.9 pp -138.61 142.9 33.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.095 0.474 . . . . 0.0 111.692 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.668 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 33.0 mmtt -143.3 104.84 4.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 108.36 14.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.271 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.66 177.74 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.039 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -91.93 -29.71 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.202 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -101.61 -149.2 0.38 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.545 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -138.06 -42.64 0.52 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.539 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -51.04 -28.51 17.85 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.562 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -67.78 -40.53 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.761 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.54 -48.71 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.598 -179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.3 pt-20 -52.29 -33.95 44.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.35 -0.54 . . . . 0.0 109.555 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 39.4 mttt -62.35 -46.51 88.33 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.806 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -73.41 -33.48 65.0 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 121.936 0.874 . . . . 0.0 111.227 179.31 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CB ' HD22 ' A' ' 5' ' ' LEU . 19.8 m-30 -66.56 -40.73 89.17 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 113.965 -1.47 . . . . 0.0 108.191 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.28 -21.28 50.01 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.664 176.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -57.92 -56.6 19.91 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.489 ' O ' HD12 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.53 -35.88 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.013 179.232 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -61.71 -33.17 73.55 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.92 0.39 . . . . 0.0 110.364 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -78.75 -31.98 46.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.808 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.91 -38.08 54.18 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.679 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HG3' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -65.64 -55.9 15.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.96 -163.21 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.532 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG12 ' H ' ' A' ' 40' ' ' GLU . 1.3 t -142.78 -179.35 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.758 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.619 ' H ' HG12 ' A' ' 39' ' ' VAL . 9.3 mt-10 63.15 124.41 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.86 0.362 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.0 147.91 4.93 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.77 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 55' ' ' THR . 3.3 m -78.66 104.67 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.324 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 8.2 m95 -79.83 120.21 23.76 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.283 -179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -140.39 156.95 46.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 33.2 t80 -138.54 142.54 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -108.12 136.11 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.705 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -92.04 -28.91 16.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.02 -32.13 32.79 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.662 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -141.04 14.11 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HD3' HG21 ' A' ' 1' ' ' THR . 1.1 mptt 47.56 77.39 0.09 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.831 0.348 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 4' ' ' LYS . 72.7 m -147.3 126.12 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.042 0.449 . . . . 0.0 111.489 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.868 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m-85 -93.18 142.83 26.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.926 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 m -143.91 141.64 30.36 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.231 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.44 127.32 74.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.573 178.471 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -114.04 133.43 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 111.084 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.836 0.35 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.3 t -87.47 127.51 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.661 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.4 m-30 -91.85 153.8 19.3 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' CB ' HG23 ' A' ' 51' ' ' THR . 7.9 mttp -129.33 134.18 47.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.014 0.435 . . . . 0.0 111.337 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.875 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 19.8 tp -120.07 143.88 47.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.373 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.694 HD12 ' C ' ' A' ' 5' ' ' LEU . 4.1 mp -140.6 116.21 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.575 177.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.6 mp -97.1 131.44 43.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.428 -179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.403 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -116.75 126.06 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.563 -179.478 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.837 HD11 HG23 ' A' ' 38' ' ' THR . 4.9 mp -144.44 77.83 1.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 tttt 69.08 -69.14 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -134.8 -48.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.79 117.5 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.42 153.55 27.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.633 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -139.79 157.02 46.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.65 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -126.36 160.47 30.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.266 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.875 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -163.7 142.88 8.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.62 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.661 HG22 ' O ' ' A' ' 3' ' ' TYR . 1.5 pp -139.25 139.09 40.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.453 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -141.33 109.21 5.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.318 -179.694 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.83 116.61 14.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.35 174.1 1.04 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.215 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -107.25 -34.69 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.24 89.98 4.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.334 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -43.26 -32.14 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.02 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -60.3 -26.48 64.05 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.459 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.5 mm -74.16 -39.44 49.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.617 0.246 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.68 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -40.27 78.85 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.302 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.2 pt-20 -62.88 -32.23 73.43 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.488 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -65.49 -35.91 82.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.317 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.713 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.6 m-85 -87.14 -36.12 18.24 Favored 'General case' 0 CA--C 1.498 -1.025 0 CA-C-O 121.896 0.855 . . . . 0.0 110.888 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CE2' ' HB1' ' A' ' 26' ' ' ALA . 15.7 m-30 -63.28 -39.25 94.05 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.994 -1.457 . . . . 0.0 107.239 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -83.66 -21.69 32.37 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.783 177.259 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD23 ' CD1' ' A' ' 29' ' ' TYR . 18.4 tp -62.47 -52.68 62.54 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.692 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.782 HD11 ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -79.75 -39.19 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 178.606 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -54.8 -32.12 59.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.051 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -78.74 -32.7 46.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.011 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.88 -37.62 34.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.939 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.782 ' CG ' HD11 ' A' ' 33' ' ' ILE . 3.8 mmtm -93.92 -55.86 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.837 HG23 HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -80.99 -178.59 6.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.075 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 40' ' ' GLU . 11.5 p -122.33 -47.38 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.486 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' HG13 ' A' ' 39' ' ' VAL . 34.8 tt0 178.33 140.82 0.09 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.079 0.466 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -171.36 -177.09 40.89 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.129 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 55' ' ' THR . 16.8 m -78.51 105.71 8.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.069 0.461 . . . . 0.0 110.327 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CD1' ' CG2' ' A' ' 54' ' ' VAL . 6.9 m95 -81.59 134.56 35.51 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.52 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -146.94 153.58 40.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.724 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 t80 -138.77 142.61 38.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 110.864 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.9 136.37 43.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -90.54 -26.1 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' HG2' HG23 ' A' ' 49' ' ' ILE . 63.3 tt0 -44.35 -53.49 6.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.387 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.711 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -138.6 25.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.647 0.26 . . . . 0.0 111.118 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 3.7 mptt 54.92 87.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.264 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.474 HG23 ' CB ' ' A' ' 4' ' ' LYS . 1.5 m -145.02 120.38 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.379 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.824 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-85 -94.35 140.57 29.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.223 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.3 m -143.76 141.92 30.67 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.943 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.521 ' CG2' ' CD1' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.61 145.45 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -131.21 128.43 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 179.544 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.097 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.651 0.262 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.2 m -76.38 119.42 20.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.133 0.492 . . . . 0.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.629 ' O ' HG22 ' A' ' 17' ' ' ILE . 3.5 m-30 -106.72 152.91 23.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.034 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -128.68 135.41 49.21 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.881 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.6 tp -119.98 144.07 47.69 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 121.187 0.518 . . . . 0.0 112.075 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.66 HD13 ' O ' ' A' ' 5' ' ' LEU . 37.2 mm -135.51 116.11 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 176.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.748 HD22 ' HD3' ' A' ' 37' ' ' LYS . 1.2 mp -102.43 131.23 49.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.104 0.478 . . . . 0.0 111.752 -178.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.53 108.03 8.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.702 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.593 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.3 pt? -108.71 28.88 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.42 35.11 5.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -154.83 -77.33 0.1 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.539 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.86 163.87 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.764 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 122.78 43.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.544 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.1 tm-20 -116.14 157.07 25.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.82 162.05 19.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.352 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.881 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -159.54 143.06 14.51 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.797 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.677 ' O ' HD12 ' A' ' 17' ' ' ILE . 1.4 pp -138.49 134.89 43.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.568 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.785 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -140.99 134.05 29.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -106.05 108.76 20.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.338 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.13 178.65 6.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.507 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.11 -35.32 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.497 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.14 -150.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.577 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -115.18 -28.7 6.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.692 0.282 . . . . 0.0 111.327 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.556 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.56 -29.91 61.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.826 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -66.44 -45.81 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.838 0.352 . . . . 0.0 111.302 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.676 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -65.86 -45.91 80.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.643 -0.423 . . . . 0.0 111.707 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 10.5 pt-20 -54.22 -31.77 54.09 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.732 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 10.7 mtmm -65.1 -42.77 93.72 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.203 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.579 ' CD1' HD23 ' A' ' 32' ' ' LEU . 2.6 m-85 -81.78 -35.65 29.32 Favored 'General case' 0 CA--C 1.499 -0.983 0 CA-C-O 121.854 0.835 . . . . 0.0 111.246 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.785 ' CE1' ' HG2' ' A' ' 18' ' ' LYS . 13.2 m-30 -66.06 -34.43 78.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.161 -1.381 . . . . 0.0 107.557 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.4 ptmt -89.85 -21.45 22.55 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.838 176.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.579 HD23 ' CD1' ' A' ' 29' ' ' TYR . 49.8 tp -59.85 -53.1 61.89 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 120.371 -0.531 . . . . 0.0 109.925 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 36' ' ' ALA . 1.4 tp -82.47 -37.92 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.759 -0.2 . . . . 0.0 110.866 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' HB3' ' HZ2' ' A' ' 43' ' ' TRP . . . -57.83 -33.69 68.9 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.087 0.47 . . . . 0.0 109.992 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -77.64 -31.84 52.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.655 178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.496 ' HB3' HD12 ' A' ' 33' ' ' ILE . . . -77.53 -34.01 54.09 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.626 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.748 ' HD3' HD22 ' A' ' 7' ' ' LEU . 5.2 mtpm? -71.03 -55.83 7.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.061 0.457 . . . . 0.0 110.258 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -168.12 2.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.446 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.1 m -153.38 45.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.674 0.273 . . . . 0.0 111.562 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.46 127.95 0.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.901 0.381 . . . . 0.0 111.199 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 157.4 157.64 8.51 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.616 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG23 ' OG1' ' A' ' 55' ' ' THR . 5.1 m -78.7 110.92 14.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.028 0.442 . . . . 0.0 110.486 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.537 ' HA ' HG23 ' A' ' 54' ' ' VAL . 5.5 m95 -84.33 129.38 34.88 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.387 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -147.08 154.22 40.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 14.7 t80 -138.52 142.76 39.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.7 136.23 45.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.722 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -95.72 -28.57 14.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -32.52 35.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -142.62 16.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 0.1 OUTLIER 49.04 80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.817 0.341 . . . . 0.0 111.163 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 4' ' ' LYS . 50.2 m -148.08 126.24 12.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.039 0.447 . . . . 0.0 111.468 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.802 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-85 -93.37 142.23 27.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.31 179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.8 m -143.91 137.5 27.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.995 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -123.47 123.11 66.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 178.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.56 ' OG1' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -104.57 140.71 37.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.006 -179.665 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.394 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.66 0.267 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.07 115.74 27.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 110.955 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.65 ' HB3' ' HZ ' ' A' ' 30' ' ' PHE . 3.6 m-30 -103.04 151.99 21.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.294 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.616 ' O ' HG23 ' A' ' 51' ' ' THR . 4.5 mtpp -131.71 137.27 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.937 ' HB3' ' HB3' ' A' ' 16' ' ' ALA . 15.4 tp -120.01 143.89 47.81 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.2 0.524 . . . . 0.0 111.944 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.756 HD13 ' O ' ' A' ' 5' ' ' LEU . 27.6 mm -140.13 116.4 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.352 176.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 7' ' ' LEU . 1.9 mp -96.84 133.35 41.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.939 0.399 . . . . 0.0 111.164 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -136.03 84.06 2.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.124 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.825 HD11 HG21 ' A' ' 38' ' ' THR . 2.3 mm? -80.75 -73.61 0.36 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.804 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -109.84 -77.74 0.59 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -125.46 -43.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.69 157.61 20.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.729 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 pttp -129.55 151.27 50.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.278 0.561 . . . . 0.0 110.571 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -133.96 157.07 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.691 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.3 162.21 23.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.473 . . . . 0.0 111.543 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.937 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -166.72 143.01 4.6 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.305 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 3' ' ' TYR . 3.5 pt -138.66 143.99 30.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 0.0 111.677 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.698 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 10.9 mmtt -144.24 121.34 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.193 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.08 113.51 25.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -177.31 175.0 1.54 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.303 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.48 -31.15 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.035 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -79.82 90.24 5.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.446 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.605 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . . . -44.42 -39.22 4.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.767 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -57.99 -25.87 57.29 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.439 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.9 mm -71.45 -39.85 71.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.698 0.285 . . . . 0.0 110.712 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.541 ' HB1' ' CE2' ' A' ' 30' ' ' PHE . . . -67.02 -46.15 75.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.754 -0.379 . . . . 0.0 111.221 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 9.7 pt-20 -57.03 -31.34 65.05 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -64.8 -39.41 93.54 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.072 178.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.63 ' CE1' HD23 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -81.42 -37.09 28.64 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-O 121.958 0.885 . . . . 0.0 110.688 179.195 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.703 ' CB ' HD22 ' A' ' 5' ' ' LEU . 18.3 m-30 -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.985 -1.461 . . . . 0.0 107.307 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 3.4 ptmm? -80.17 -21.55 42.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.788 176.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.63 HD23 ' CE1' ' A' ' 29' ' ' TYR . 26.2 tp -65.56 -47.82 74.5 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 120.466 -0.494 . . . . 0.0 109.756 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.52 HG13 ' HG3' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -86.98 -35.09 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.759 178.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' PHE . . . -61.28 -37.52 83.45 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -74.61 -33.94 62.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.569 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.04 -23.97 47.95 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.76 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.52 ' HG3' HG13 ' A' ' 33' ' ' ILE . 12.0 mttm -87.26 -56.05 3.54 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.061 0.458 . . . . 0.0 110.739 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.825 HG21 HD11 ' A' ' 9' ' ' LEU . 8.6 t -115.23 -158.88 0.69 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.917 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.575 HG22 ' HG2' ' A' ' 40' ' ' GLU . 12.1 p -104.36 -51.25 8.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.575 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER 165.59 148.37 0.02 OUTLIER 'General case' 0 C--O 1.231 0.105 0 CA-C-O 121.208 0.528 . . . . 0.0 111.147 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.86 -162.69 11.4 Favored Glycine 0 CA--C 1.517 0.215 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.676 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 42' ' ' VAL . 31.4 m -78.56 104.95 7.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.134 0.492 . . . . 0.0 110.016 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HA ' HG23 ' A' ' 54' ' ' VAL . 9.9 m95 -83.24 132.86 35.03 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.132 -178.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.9 p -147.17 151.74 37.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.59 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 27.9 t80 -138.61 142.57 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' HD11 ' A' ' 49' ' ' ILE . 4.3 mttp -108.38 136.18 48.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.601 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.85 -28.93 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -34.05 27.86 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.482 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.669 HD13 ' H ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -139.49 13.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.651 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 45' ' ' TYR . 9.8 mttt 47.85 75.68 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.293 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 4' ' ' LYS . 71.9 m -145.2 126.63 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.974 0.416 . . . . 0.0 111.191 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.823 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.4 m-85 -93.25 142.52 27.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.1 m -143.68 140.58 30.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.957 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.507 HG23 ' HA ' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -123.44 145.55 30.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.551 178.574 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -130.97 150.15 52.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 179.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.343 -179.934 . . . . . . . . 0 0 . 1 stop_ save_