data_2jnh_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 2jnh _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 ' 7' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.749 0.309 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.81 -36.43 67.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.064 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.57 92.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HZ3' HG12 ' A' ' 35' ' ' VAL . 5.9 mmpt? -69.2 -49.47 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.927 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.557 HD12 ' HE2' ' A' ' 25' ' ' LYS . 68.1 mt -55.04 -56.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.246 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.2 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.741 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.7 tptt -56.36 -32.95 65.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.557 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD21 HG11 ' A' ' 24' ' ' VAL . 8.4 mp -89.55 -23.45 22.01 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.329 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.57 -28.6 69.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.436 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.52 -56.26 9.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.072 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -57.7 -37.26 73.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.615 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.78 97.19 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.913 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -155.78 -177.46 6.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.543 0.211 . . . . 0.0 110.622 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.36 154.84 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.905 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.71 -44.87 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.086 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -58.19 -40.78 82.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 39.8 mt-10 -66.38 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.558 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.548 HG11 HD21 ' A' ' 14' ' ' LEU . 53.0 t -69.04 -63.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.879 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HE2' HD12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -52.56 -46.16 66.71 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.468 -179.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 28.4 ptt180 -63.89 -36.87 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -18.58 62.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.38 . . . . 0.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.94 -54.73 4.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.252 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -62.97 -52.63 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.629 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -56.26 -42.12 72.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.12 14.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 63.36 52.74 2.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.885 0.374 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 57.36 33.84 23.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.489 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -106.31 122.16 45.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.518 HG12 ' HZ3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -83.75 -34.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.074 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.06 -52.69 63.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.464 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.89 -46.3 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -55.68 -43.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.238 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.27 -36.08 80.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.64 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.451 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.1 pt -93.31 -10.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.225 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.438 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 11' ' ' ILE . 25.1 m . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.767 0.318 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.68 -37.23 63.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.53 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -66.66 -37.22 84.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.63 HD12 ' HE3' ' A' ' 25' ' ' LYS . 54.7 mt -58.59 -57.43 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -58.48 -36.74 74.21 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 20.4 tptm -55.82 -28.77 57.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD21 HG11 ' A' ' 24' ' ' VAL . 4.6 mp -89.52 -29.36 19.0 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.876 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.486 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -62.72 -22.67 66.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.286 179.654 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.1 -55.77 8.36 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.959 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.64 -33.71 66.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.996 0.427 . . . . 0.0 110.503 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.17 89.49 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.896 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.437 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -149.69 -175.45 5.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.531 0.205 . . . . 0.0 110.689 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.38 134.69 53.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.52 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.638 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 45.4 p90 -69.84 -29.75 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.143 0.497 . . . . 0.0 109.779 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.21 -44.62 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.467 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.571 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 37.6 mt-10 -65.61 -29.26 69.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 20' ' ' ALA . 76.9 t -67.08 -63.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.677 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.638 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 13.4 mptt -54.88 -45.25 74.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.562 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.571 ' HE ' ' HA ' ' A' ' 23' ' ' GLU . 16.0 ptt180 -60.96 -36.43 79.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.62 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.87 -31.46 68.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.3 mt -82.64 -25.19 33.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.9 -57.27 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.338 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -50.82 -50.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.545 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.05 38.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.224 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 60.61 -84.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -148.23 -5.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.265 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.83 127.46 31.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG23 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.09 -31.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.276 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.65 -53.06 59.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.72 -41.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.183 0.516 . . . . 0.0 109.998 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.53 -28.92 69.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.196 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -73.65 -39.76 64.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.304 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -60.2 -37.38 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.043 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.1 mt -82.83 -30.7 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.831 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.691 0.281 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.9 -42.91 85.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.93 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.562 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.8 mmpt? -72.28 -42.17 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 109.842 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.607 HD12 ' HE2' ' A' ' 25' ' ' LYS . 56.7 mt -58.89 -58.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.25 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.97 66.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 27.7 tptp -54.67 -34.59 62.46 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.431 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD21 HG11 ' A' ' 24' ' ' VAL . 6.6 mp -84.03 -28.78 27.42 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.307 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.4 mtp -63.66 -21.51 66.42 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.83 -53.77 16.6 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.628 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.161 0.505 . . . . 0.0 110.265 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.14 85.51 0.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.962 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.441 ' HB2' HD12 ' A' ' 42' ' ' LEU . 1.6 m-85 -145.73 179.97 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.554 0.216 . . . . 0.0 110.552 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.17 146.32 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.646 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.0 p90 -76.31 -35.85 58.6 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.38 -41.12 96.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.551 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 41.3 mt-10 -67.05 -33.09 74.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.491 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.469 HG11 HD21 ' A' ' 14' ' ' LEU . 81.7 t -68.51 -64.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.742 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.607 ' HE2' HD12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.29 -46.76 69.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.2 ptt180 -61.56 -38.29 86.95 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.676 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.72 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -74.95 -52.54 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.515 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.365 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.18 -43.89 82.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.443 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.36 22.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.525 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.83 52.22 8.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.312 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 m120 58.11 56.14 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -128.18 126.85 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -81.83 -49.28 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.28 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 37' ' ' VAL . 5.6 pt-20 -47.89 -56.82 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.446 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 33.8 t -58.88 -52.27 62.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.971 0.415 . . . . 0.0 110.726 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.24 -19.72 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.628 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 35' ' ' VAL . 5.2 ttp180 -80.42 -31.72 37.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -72.45 -37.08 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.11 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.415 HG21 ' HA ' ' A' ' 38' ' ' ALA . 18.1 tt -82.33 -25.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.989 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.491 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.849 0.357 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.12 -34.81 78.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.75 90.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.284 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.9 mmpt? -66.63 -49.09 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.024 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.647 HD12 ' HE2' ' A' ' 25' ' ' LYS . 75.1 mt -56.04 -58.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.466 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.15 -34.99 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.911 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.7 tptt -56.21 -35.51 67.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.425 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.547 HD21 HG11 ' A' ' 24' ' ' VAL . 7.8 mp -84.2 -26.03 29.06 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.95 -24.41 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.202 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -53.79 16.9 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.647 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -57.33 -38.28 73.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.328 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.16 78.45 1.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.063 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -140.92 176.55 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.501 0.191 . . . . 0.0 110.595 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.52 135.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -72.49 -32.71 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.98 -46.01 92.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.243 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 40.1 mt-10 -64.87 -29.27 70.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.547 HG11 HD21 ' A' ' 14' ' ' LEU . 82.3 t -67.6 -65.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.647 ' HE2' HD12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -51.04 -46.64 61.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.559 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.9 ptp180 -59.96 -38.46 82.53 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.217 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 41' ' ' ILE . . . -67.43 -36.05 80.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.104 0.478 . . . . 0.0 110.826 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.93 -65.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.95 -54.12 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.816 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.6 mt -55.4 -44.35 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.42 25.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.58 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 55.36 50.91 13.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.25 59.02 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -124.27 132.03 53.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.737 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.449 HG12 ' HZ1' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -90.29 -36.8 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.297 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.14 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.383 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.75 -43.06 72.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.083 0.468 . . . . 0.0 110.534 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.09 -36.78 80.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.523 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -64.05 -40.18 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.4 p -61.85 -47.41 85.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.335 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 HD11 ' HB1' ' A' ' 27' ' ' ALA . 32.4 pt -77.35 -11.96 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.273 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 11' ' ' ILE . 10.2 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.598 0.237 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.65 -38.64 60.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.26 90.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.761 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.538 ' HZ2' HG12 ' A' ' 35' ' ' VAL . 10.1 mmmm -68.98 -41.67 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 0.0 110.034 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG21 ' HD2' ' A' ' 25' ' ' LYS . 52.3 mt -58.07 -58.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.341 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.71 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.5 tptt -53.24 -34.45 57.22 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.606 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 24' ' ' VAL . 6.5 mp -86.97 -27.57 23.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.583 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -62.9 -22.84 67.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.41 -56.43 7.17 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.048 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.74 -42.89 89.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.858 0.361 . . . . 0.0 110.629 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.13 87.74 1.84 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.824 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -149.94 179.94 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.651 0.262 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.14 139.96 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -71.83 -29.95 64.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.237 0.541 . . . . 0.0 109.652 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.94 -42.39 99.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.28 -27.39 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.535 HG11 HD21 ' A' ' 14' ' ' LEU . 96.7 t -68.88 -57.16 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.981 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HD2' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -70.58 -33.02 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.66 -178.838 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -68.48 -34.23 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.35 -35.16 63.56 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.718 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.61 -33.2 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.738 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.11 -52.43 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.095 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.43 -48.09 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.269 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.6 32.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.449 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.36 -76.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -164.4 19.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.77 113.7 22.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.538 HG12 ' HZ2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -78.26 -36.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.78 -58.49 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.66 -42.57 92.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.28 -28.7 69.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.325 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -76.4 -33.39 58.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.316 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.2 m -64.19 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.993 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 tt -88.26 -23.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.893 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? . . . . . 0 C--N 1.333 -0.136 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.865 0.364 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.97 -39.64 82.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.0 65.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.762 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -69.91 -44.19 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.169 0.509 . . . . 0.0 109.945 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.582 HD12 ' HE2' ' A' ' 25' ' ' LYS . 55.3 mt -56.76 -58.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.286 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -55.26 -37.38 67.17 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 23.8 tptp -54.27 -33.16 57.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.55 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD21 HG11 ' A' ' 24' ' ' VAL . 6.8 mp -85.45 -30.12 23.78 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.404 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.537 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 8.9 mmm -60.45 -25.62 66.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.463 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.03 -55.8 7.24 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.195 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -58.48 -38.61 77.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.988 0.423 . . . . 0.0 110.62 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.79 92.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.727 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -151.62 -174.48 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.726 0.298 . . . . 0.0 110.657 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.45 145.0 34.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.48 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -74.55 -37.52 62.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 109.898 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.48 -38.62 91.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.513 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.76 -29.92 68.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.55 HG11 HD21 ' A' ' 14' ' ' LEU . 52.2 t -69.23 -65.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.487 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HE2' HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.34 -43.32 78.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.492 -179.31 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' O ' HG13 ' A' ' 30' ' ' ILE . 10.1 ptm180 -63.14 -37.21 86.31 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.55 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.41 71.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.16 0.505 . . . . 0.0 110.289 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -71.32 -33.76 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.046 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.14 -37.05 54.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.411 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 26' ' ' ARG . 75.3 mt -55.66 -63.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.295 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.05 45.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 64.3 -77.38 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -161.46 14.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 110.684 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.88 111.92 14.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.433 HG23 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -70.75 -33.61 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.24 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.22 -60.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.153 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.92 -47.24 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.555 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -56.65 -30.83 63.78 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.34 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -74.19 -34.85 63.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.508 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -59.48 -45.95 90.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.126 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.3 mp -77.44 -29.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.269 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.8 tm? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.59 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.613 0.244 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.0 -45.46 82.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.701 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.9 -35.49 64.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 110.415 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.8 mmpt? -71.19 -41.06 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.746 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.583 HD12 ' HE3' ' A' ' 25' ' ' LYS . 68.9 mt -61.74 -57.38 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.331 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.5 60.74 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.9 tptt -54.19 -38.26 65.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.239 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD12 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -79.03 -27.36 43.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.45 178.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mmm -69.92 -18.82 63.4 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.643 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.13 -57.12 5.7 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.308 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -59.84 -36.71 77.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.753 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.64 99.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.839 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.439 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -155.84 -178.42 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.592 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.6 145.92 22.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.505 ' HB2' ' HZ2' ' A' ' 25' ' ' LYS . 45.1 p90 -76.34 -27.56 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.22 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.7 -44.21 78.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.568 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 36.7 mt-10 -67.31 -28.24 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.612 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.524 HG11 HD21 ' A' ' 14' ' ' LEU . 70.8 t -72.53 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HE3' HD12 ' A' ' 11' ' ' ILE . 13.6 mptt -55.87 -36.16 67.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.614 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.6 ptt180 -70.28 -38.64 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.346 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.45 -18.01 62.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.65 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.476 HD22 HD11 ' A' ' 14' ' ' LEU . 54.2 mt -86.2 -57.39 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.03 -44.18 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.44 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.419 ' C ' ' H ' ' A' ' 32' ' ' GLN . 90.3 mt -65.7 -43.27 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.616 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 26.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 30' ' ' ILE . 48.7 mt-30 52.87 48.43 22.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.356 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 59.44 61.34 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -131.98 126.33 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.581 HG23 HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -90.21 -37.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.178 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.16 -57.67 11.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.467 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -60.84 -29.99 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.664 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -69.95 -49.96 46.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -57.38 -33.14 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.316 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.2 mt -86.33 -23.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.821 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.1 tm? . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.674 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.979 0.419 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.28 -35.49 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.383 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.26 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.356 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -68.73 -45.93 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.306 0.574 . . . . 0.0 109.819 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.557 HD12 ' HE3' ' A' ' 25' ' ' LYS . 60.9 mt -56.53 -58.15 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.218 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.16 -36.7 66.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.661 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.0 tptt -54.13 -33.97 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.25 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD21 HG11 ' A' ' 24' ' ' VAL . 5.9 mp -84.43 -29.62 25.98 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.385 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.5 mtt -59.87 -25.46 65.08 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.372 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -57.44 5.56 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.217 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.78 -39.34 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.654 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.93 83.16 1.35 Allowed Glycine 0 C--N 1.331 0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.681 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -142.2 -179.55 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -53.86 150.56 7.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.891 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.531 ' HB3' ' HZ1' ' A' ' 25' ' ' LYS . 93.4 m-85 -78.51 -31.75 47.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.344 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -44.09 89.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.763 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 40.6 mt-10 -65.19 -30.48 71.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.526 HG11 HD21 ' A' ' 14' ' ' LEU . 81.6 t -71.12 -67.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.861 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HE3' HD12 ' A' ' 11' ' ' ILE . 13.2 mptt -55.11 -34.09 63.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.771 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 25.2 ptt180 -71.06 -38.31 72.5 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.444 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 38' ' ' ALA . . . -70.61 -23.43 62.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.417 . . . . 0.0 110.524 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 mt -85.31 -37.4 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.979 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -69.96 -51.91 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.105 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.88 -45.67 79.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.21 30.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.377 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 65.09 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' C ' HD21 ' A' ' 33' ' ' ASN . 0.3 OUTLIER -155.0 25.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -95.98 126.15 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -83.34 -28.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.34 -59.43 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.51 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.29 -37.45 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.181 0.515 . . . . 0.0 109.683 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.17 -36.08 82.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.112 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -68.05 -32.86 73.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.358 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 t -64.15 -45.56 87.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.9 mt -77.64 -27.22 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.655 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.0 tm? . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 11' ' ' ILE . 28.8 m . . . . . 0 C--O 1.228 -0.057 0 CA-C-O 120.616 0.246 . . . . 0.0 111.66 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.12 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.71 58.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.967 0.413 . . . . 0.0 110.257 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -71.55 -41.63 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.766 179.021 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.607 HD12 ' HE3' ' A' ' 25' ' ' LYS . 66.8 mt -59.69 -59.02 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.264 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.28 57.71 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.764 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 28.0 tptp -53.9 -38.84 65.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.814 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.545 HD21 HG11 ' A' ' 24' ' ' VAL . 8.0 mp -84.24 -26.29 28.78 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.681 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' ILE . 98.0 mmm -64.03 -24.71 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.342 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.31 -56.69 10.23 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.972 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.38 -34.34 66.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.554 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.31 85.39 0.71 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.56 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.456 ' HB2' HD13 ' A' ' 42' ' ' LEU . 3.4 m-85 -144.88 -176.76 5.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.694 0.283 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.57 142.11 18.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.511 ' HB2' ' HZ1' ' A' ' 25' ' ' LYS . 43.4 p90 -75.93 -31.67 59.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.1 -46.02 90.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.483 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.69 -38.15 89.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.454 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.545 HG11 HD21 ' A' ' 14' ' ' LEU . 96.4 t -65.2 -70.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.12 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.607 ' HE3' HD12 ' A' ' 11' ' ' ILE . 13.6 mptt -51.46 -43.77 62.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -63.16 -36.14 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.706 0.288 . . . . 0.0 110.877 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 38' ' ' ALA . . . -75.02 -21.37 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.142 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 mt -85.86 -43.91 12.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.343 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.87 -45.94 69.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.369 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.12 -46.46 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.93 27.86 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 64.1 -78.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.085 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.16 28.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.606 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -97.15 119.39 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.49 -27.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.799 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.21 -53.81 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.475 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -63.53 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.21 0.529 . . . . 0.0 109.876 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.23 -27.46 69.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -74.16 -42.09 60.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.1 p -59.81 -43.65 94.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.375 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tp -74.99 -26.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.68 -41.37 73.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.055 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.4 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 10.7 mmmm -70.38 -40.35 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.111 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.614 HD12 ' HE2' ' A' ' 25' ' ' LYS . 57.4 mt -60.57 -58.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.201 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.59 65.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 51.4 tptt -55.2 -35.41 64.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.547 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD21 HG11 ' A' ' 24' ' ' VAL . 1.9 mp -83.08 -30.67 27.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.0 mtp -64.69 -20.2 66.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.556 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.76 -54.33 9.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.934 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.33 -38.72 87.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.58 95.21 1.64 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.941 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' HB2' HD12 ' A' ' 42' ' ' LEU . 1.1 m-85 -155.77 -176.47 5.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.728 0.299 . . . . 0.0 110.761 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.83 154.5 9.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -82.45 -39.84 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.129 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.56 -38.79 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.837 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.71 -33.03 73.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.36 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 14' ' ' LEU . 75.6 t -69.04 -66.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.611 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.614 ' HE2' HD12 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -53.54 -42.81 67.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.389 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -63.03 -38.62 91.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.14 69.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.69 -47.31 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.247 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.36 -44.58 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.325 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -52.67 -60.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.226 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.79 39.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.198 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 62.7 -85.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -151.97 27.35 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.528 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -90.7 124.79 35.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG23 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -86.83 -28.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.816 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.29 -56.01 25.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.16 -47.02 93.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.362 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB2' HD22 ' A' ' 14' ' ' LEU . . . -56.1 -40.37 73.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.103 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -68.9 -34.03 74.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.474 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -59.61 -37.46 78.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 pt -96.56 -12.54 8.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD12 ' HB2' ' A' ' 19' ' ' TYR . 2.0 tm? . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.897 0.379 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.78 -39.29 88.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.76 68.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.754 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -69.63 -45.56 68.21 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.627 HD12 ' HE2' ' A' ' 25' ' ' LYS . 65.9 mt -57.06 -58.78 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.386 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.44 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.735 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 24.8 tptt -53.55 -34.8 59.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.588 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 HG11 ' A' ' 24' ' ' VAL . 6.6 mp -85.52 -28.6 24.84 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.405 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.7 mmt -62.49 -23.47 66.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.91 -56.24 9.01 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.946 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.17 -35.98 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.962 0.411 . . . . 0.0 110.632 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.15 100.86 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.688 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.538 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -155.85 -171.2 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.624 0.25 . . . . 0.0 110.688 179.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -176.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -101.89 -53.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.826 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.91 -34.92 63.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 39.5 mt-10 -70.95 -37.81 72.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.511 HG11 HD21 ' A' ' 14' ' ' LEU . 63.2 t -69.46 -59.16 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.386 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.627 ' HE2' HD12 ' A' ' 11' ' ' ILE . 1.1 mptm? -55.45 -46.34 76.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.295 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 26.3 ptt180 -60.72 -36.41 78.79 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.42 -24.7 63.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.318 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.75 -30.32 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.891 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.06 -50.31 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.96 -41.92 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.161 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.88 8.51 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 69.07 -72.97 0.09 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -157.29 19.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.83 120.4 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.414 HG12 ' HZ2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -89.89 -27.67 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -57.4 -52.61 64.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 38' ' ' ALA . 7.7 p -61.2 -41.68 90.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 110.25 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.03 -31.87 73.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.54 -39.58 81.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.1 m -62.94 -39.12 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.226 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.26 -27.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.658 0.266 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.31 -42.07 69.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -36.66 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.408 . . . . 0.0 110.437 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 26.5 mmmt -71.44 -39.66 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.755 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.405 HG21 ' HE3' ' A' ' 25' ' ' LYS . 52.6 mt -60.74 -57.34 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.808 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.23 -37.06 64.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.3 tptt -54.45 -36.9 64.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.426 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.57 HD12 HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -81.12 -32.29 33.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.243 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -65.1 -18.17 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 -53.67 12.81 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.768 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -60.57 -52.77 63.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.071 0.463 . . . . 0.0 110.505 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.03 100.19 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.543 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -156.0 -174.97 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.41 139.4 37.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.669 0.271 . . . . 0.0 110.474 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 72.2 m-85 -73.59 -37.96 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.158 0.504 . . . . 0.0 109.863 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 1.7 tm-20 -63.35 -42.83 98.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 40.4 mt-10 -67.23 -35.36 79.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.863 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG11 HD21 ' A' ' 14' ' ' LEU . 51.1 t -64.34 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 21' ' ' PHE . 14.0 mptt -55.75 -47.49 76.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 4.2 ptp180 -60.7 -32.19 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.15 -25.45 60.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.502 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 mt -81.21 -46.34 14.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.361 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.1 -56.13 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.449 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.434 ' C ' ' H ' ' A' ' 32' ' ' GLN . 68.8 mt -56.31 -41.5 71.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.869 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 15.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 30' ' ' ILE . 36.0 mt-30 58.18 49.41 11.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.903 0.382 . . . . 0.0 111.046 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 57.63 58.19 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -129.91 101.91 6.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.57 HG23 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.71 -30.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.295 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.59 -62.55 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.335 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -55.64 -46.94 79.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.644 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB2' HD22 ' A' ' 14' ' ' LEU . . . -57.67 -39.3 76.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -68.98 -33.87 74.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.587 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -57.67 -46.17 84.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.063 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -81.79 -23.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.632 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.415 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.667 0.27 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.62 -46.29 77.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.79 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.12 63.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.463 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 11.7 mmmm -69.46 -38.52 77.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.755 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.546 HD12 ' HE2' ' A' ' 25' ' ' LYS . 57.2 mt -62.69 -57.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -52.39 -38.69 59.56 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 46.0 tptt -53.2 -40.34 64.37 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.136 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD21 HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -76.48 -30.26 57.19 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.555 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.475 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -66.65 -18.54 65.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.654 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.59 -54.89 4.75 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.168 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.586 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.15 84.98 1.5 Allowed Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.621 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -142.08 -179.56 6.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.644 0.259 . . . . 0.0 111.292 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.4 153.07 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.5 p90 -79.87 -32.05 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.87 -45.41 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.99 -33.32 75.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.474 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.46 HG11 HD21 ' A' ' 14' ' ' LEU . 74.8 t -68.79 -68.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.999 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.546 ' HE2' HD12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.93 -38.8 65.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.9 -36.42 80.18 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.553 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.01 -30.19 66.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.925 0.393 . . . . 0.0 110.621 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 mt -75.73 -39.12 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.759 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.5 -51.21 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.965 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.89 -49.04 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.81 29.97 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.263 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 64.76 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -151.09 24.57 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.749 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.14 126.4 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.438 HG23 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.36 -41.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.786 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -54.06 -53.24 55.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.86 -44.41 98.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 110.111 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.475 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -71.77 -39.68 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -59.5 -44.43 93.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.279 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 pt -79.02 -27.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.721 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.37 -43.02 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.613 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.356 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 20.2 mmmt -71.4 -39.55 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.415 0.626 . . . . 0.0 109.485 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.53 -58.36 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.289 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -35.62 63.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 tptt -55.38 -36.63 66.58 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.517 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 HD22 ' HB2' ' A' ' 38' ' ' ALA . 5.5 mp -85.71 -28.41 24.67 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.585 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -65.72 -20.01 66.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.234 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.91 -55.93 13.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.854 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.65 -36.57 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 87.73 0.9 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.425 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -147.39 -178.8 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.559 0.219 . . . . 0.0 110.9 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -46.3 128.91 10.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.452 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 97.1 m-85 -71.17 -34.19 70.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.116 0.484 . . . . 0.0 109.874 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.78 -42.08 95.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.488 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.6 -28.86 68.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 20' ' ' ALA . 79.1 t -72.23 -64.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.505 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 21' ' ' PHE . 1.3 mptm? -52.16 -43.13 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.347 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -65.58 -39.43 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.57 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -16.78 62.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.9 mt -89.33 -53.7 4.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.215 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.08 -53.98 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.17 -45.59 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.373 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 56.92 -92.94 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.89 4.62 0.41 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.775 0.321 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -62.36 121.63 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.3 t -85.67 -37.31 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -56.82 -50.12 73.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.758 0.314 . . . . 0.0 110.701 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.7 -41.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.063 0.459 . . . . 0.0 110.277 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.52 -26.04 68.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -76.62 -39.66 51.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.7 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.6 p -62.82 -36.42 83.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.161 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.95 -37.68 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.81 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.7 tm? . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.513 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 11' ' ' ILE . 24.9 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.673 0.273 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -57.5 -45.89 84.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.04 -35.74 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.96 0.409 . . . . 0.0 110.202 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HZ2' HG12 ' A' ' 35' ' ' VAL . 6.2 mmpt? -69.47 -42.8 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.316 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 7' ' ' VAL . 66.1 mt -58.1 -57.94 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.335 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -53.26 -39.71 64.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.746 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 13.7 tptm -53.25 -36.3 60.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.629 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' A' ' 38' ' ' ALA . 7.4 mp -88.53 -21.97 23.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.704 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.429 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 90.4 mmm -66.32 -23.94 66.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.37 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.81 -56.14 7.74 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.916 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -35.28 68.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 110.47 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.17 91.92 0.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.689 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.54 -175.93 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.824 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.62 142.5 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -74.54 -33.33 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 109.977 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.0 -38.96 89.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.26 -25.75 65.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.015 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.531 HG11 HD21 ' A' ' 14' ' ' LEU . 63.7 t -74.44 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.756 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -68.85 -28.25 66.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.346 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -76.74 -36.52 57.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -25.32 62.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.28 -52.43 8.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.045 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.22 -51.66 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.26 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -55.0 -42.04 62.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 23.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.739 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 57.61 46.72 17.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.4 m120 59.21 59.48 2.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -136.14 126.57 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.745 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG12 ' HZ2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -79.63 -28.42 12.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.16 -64.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.775 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -57.77 -36.78 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.916 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB2' HD22 ' A' ' 14' ' ' LEU . . . -65.23 -29.85 70.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.265 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.53 -32.7 64.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.494 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 tt -81.8 -31.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.348 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.765 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.863 0.364 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -149.84 -54.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 8' ' ' ASP . 12.7 pt-20 -85.37 145.73 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -117.91 -72.92 0.66 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.177 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.2 m -67.25 -30.8 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.605 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 10.4 m-20 -55.81 -36.43 67.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.064 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.57 92.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HZ3' HG12 ' A' ' 35' ' ' VAL . 5.9 mmpt? -69.2 -49.47 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.927 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.557 HD12 ' HE2' ' A' ' 25' ' ' LYS . 68.1 mt -55.04 -56.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.246 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.2 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.741 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.7 tptt -56.36 -32.95 65.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.557 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD21 HG11 ' A' ' 24' ' ' VAL . 8.4 mp -89.55 -23.45 22.01 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.329 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.57 -28.6 69.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.436 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.52 -56.26 9.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.072 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -57.7 -37.26 73.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.615 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.78 97.19 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.913 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -155.78 -177.46 6.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.543 0.211 . . . . 0.0 110.622 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.36 154.84 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.905 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.71 -44.87 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.086 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -58.19 -40.78 82.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 39.8 mt-10 -66.38 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.558 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG11 HD21 ' A' ' 14' ' ' LEU . 53.0 t -69.04 -63.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.879 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HE2' HD12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -52.56 -46.16 66.71 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.468 -179.29 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 28.4 ptt180 -63.89 -36.87 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -18.58 62.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.38 . . . . 0.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.94 -54.73 4.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.252 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -62.97 -52.63 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.629 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -56.26 -42.12 72.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.12 14.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 63.36 52.74 2.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.885 0.374 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 57.36 33.84 23.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.489 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -106.31 122.16 45.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.518 HG12 ' HZ3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -83.75 -34.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.074 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.06 -52.69 63.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.464 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.89 -46.3 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -55.68 -43.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.238 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.27 -36.08 80.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.64 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.451 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.1 pt -93.31 -10.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.225 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -72.42 -35.0 68.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.438 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -90.62 -11.3 40.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.494 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -86.2 17.48 3.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.512 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.6 t80 63.5 -81.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.215 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.806 0.336 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -99.95 -172.83 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.96 174.16 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -159.14 -62.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 11' ' ' ILE . 25.1 m -78.37 -36.72 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.68 -37.23 63.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.53 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -66.66 -37.22 84.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.63 HD12 ' HE3' ' A' ' 25' ' ' LYS . 54.7 mt -58.59 -57.43 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -58.48 -36.74 74.21 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 20.4 tptm -55.82 -28.77 57.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD21 HG11 ' A' ' 24' ' ' VAL . 4.6 mp -89.52 -29.36 19.0 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.876 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.486 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -62.72 -22.67 66.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.286 179.654 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.1 -55.77 8.36 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.959 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.64 -33.71 66.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.996 0.427 . . . . 0.0 110.503 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.17 89.49 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.896 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.437 ' HB2' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -149.69 -175.45 5.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.531 0.205 . . . . 0.0 110.689 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.38 134.69 53.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.52 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.638 ' HB2' ' HZ3' ' A' ' 25' ' ' LYS . 45.4 p90 -69.84 -29.75 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.143 0.497 . . . . 0.0 109.779 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.21 -44.62 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.467 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.571 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 37.6 mt-10 -65.61 -29.26 69.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 20' ' ' ALA . 76.9 t -67.08 -63.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.677 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.638 ' HZ3' ' HB2' ' A' ' 21' ' ' PHE . 13.4 mptt -54.88 -45.25 74.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.562 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.571 ' HE ' ' HA ' ' A' ' 23' ' ' GLU . 16.0 ptt180 -60.96 -36.43 79.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.62 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.87 -31.46 68.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.3 mt -82.64 -25.19 33.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.9 -57.27 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.338 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -50.82 -50.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.545 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.05 38.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.224 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 60.61 -84.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -148.23 -5.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.265 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.83 127.46 31.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 HG23 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.09 -31.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.276 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.65 -53.06 59.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.72 -41.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.183 0.516 . . . . 0.0 109.998 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.53 -28.92 69.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.196 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -73.65 -39.76 64.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.304 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -60.2 -37.38 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.043 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.1 mt -82.83 -30.7 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.831 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? -64.2 -36.63 84.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -53.88 -66.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.249 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -124.55 -73.41 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -164.58 -21.89 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.139 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.5 tp -110.55 -59.53 1.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.55 138.95 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -124.85 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -53.43 -35.88 25.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.254 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.9 -42.91 85.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.93 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.562 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.8 mmpt? -72.28 -42.17 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 109.842 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.607 HD12 ' HE2' ' A' ' 25' ' ' LYS . 56.7 mt -58.89 -58.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.25 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.97 66.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 27.7 tptp -54.67 -34.59 62.46 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.431 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD21 HG11 ' A' ' 24' ' ' VAL . 6.6 mp -84.03 -28.78 27.42 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.307 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.4 mtp -63.66 -21.51 66.42 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.83 -53.77 16.6 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.628 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.161 0.505 . . . . 0.0 110.265 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.14 85.51 0.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.962 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.441 ' HB2' HD12 ' A' ' 42' ' ' LEU . 1.6 m-85 -145.73 179.97 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.554 0.216 . . . . 0.0 110.552 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.17 146.32 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.646 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.0 p90 -76.31 -35.85 58.6 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.38 -41.12 96.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.551 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 41.3 mt-10 -67.05 -33.09 74.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.491 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.469 HG11 HD21 ' A' ' 14' ' ' LEU . 81.7 t -68.51 -64.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.742 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.607 ' HE2' HD12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.29 -46.76 69.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.2 ptt180 -61.56 -38.29 86.95 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.676 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.72 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -74.95 -52.54 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.515 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.365 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.18 -43.89 82.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.443 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.36 22.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.525 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.83 52.22 8.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.312 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 m120 58.11 56.14 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -128.18 126.85 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -81.83 -49.28 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.28 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 37' ' ' VAL . 5.6 pt-20 -47.89 -56.82 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.446 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 33.8 t -58.88 -52.27 62.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.971 0.415 . . . . 0.0 110.726 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.538 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.24 -19.72 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.628 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 35' ' ' VAL . 5.2 ttp180 -80.42 -31.72 37.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -72.45 -37.08 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.11 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.415 HG21 ' HA ' ' A' ' 38' ' ' ALA . 18.1 tt -82.33 -25.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.989 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? -59.34 -37.33 77.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.491 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -89.66 -55.61 3.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.219 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.64 -53.89 48.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 t80 65.41 135.36 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.309 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.173 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.737 0.303 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mp 58.53 -85.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.386 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.12 140.08 46.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -74.34 114.12 12.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -58.8 -31.78 45.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.725 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.12 -34.81 78.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.75 90.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.284 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.9 mmpt? -66.63 -49.09 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.024 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.647 HD12 ' HE2' ' A' ' 25' ' ' LYS . 75.1 mt -56.04 -58.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.466 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.15 -34.99 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.911 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.7 tptt -56.21 -35.51 67.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.425 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.547 HD21 HG11 ' A' ' 24' ' ' VAL . 7.8 mp -84.2 -26.03 29.06 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.95 -24.41 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.202 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -53.79 16.9 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.647 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -57.33 -38.28 73.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.328 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.16 78.45 1.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.063 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -140.92 176.55 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.501 0.191 . . . . 0.0 110.595 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.52 135.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -72.49 -32.71 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.98 -46.01 92.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.243 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 40.1 mt-10 -64.87 -29.27 70.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.547 HG11 HD21 ' A' ' 14' ' ' LEU . 82.3 t -67.6 -65.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.647 ' HE2' HD12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -51.04 -46.64 61.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.559 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.9 ptp180 -59.96 -38.46 82.53 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.217 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 41' ' ' ILE . . . -67.43 -36.05 80.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.104 0.478 . . . . 0.0 110.826 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.93 -65.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.95 -54.12 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.816 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.6 mt -55.4 -44.35 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.42 25.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.58 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 55.36 50.91 13.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.25 59.02 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -124.27 132.03 53.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.737 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.449 HG12 ' HZ1' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -90.29 -36.8 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.297 -179.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.14 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.383 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.75 -43.06 72.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.083 0.468 . . . . 0.0 110.534 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.09 -36.78 80.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.523 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -64.05 -40.18 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.4 p -61.85 -47.41 85.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.335 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 HD11 ' HB1' ' A' ' 27' ' ' ALA . 32.4 pt -77.35 -11.96 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.273 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? -79.4 -47.14 16.24 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -92.06 -66.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.727 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.35 -70.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.675 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -55.71 -73.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.127 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.168 -179.847 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -100.88 -69.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -127.82 90.26 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -111.69 -44.78 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 11' ' ' ILE . 10.2 m -66.06 -42.29 91.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.362 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.65 -38.64 60.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.26 90.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.761 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.538 ' HZ2' HG12 ' A' ' 35' ' ' VAL . 10.1 mmmm -68.98 -41.67 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 0.0 110.034 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG21 ' HD2' ' A' ' 25' ' ' LYS . 52.3 mt -58.07 -58.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.341 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.71 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.5 tptt -53.24 -34.45 57.22 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.606 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 24' ' ' VAL . 6.5 mp -86.97 -27.57 23.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.583 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -62.9 -22.84 67.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.41 -56.43 7.17 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.048 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.74 -42.89 89.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.858 0.361 . . . . 0.0 110.629 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.13 87.74 1.84 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.824 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -149.94 179.94 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.651 0.262 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.14 139.96 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -71.83 -29.95 64.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.237 0.541 . . . . 0.0 109.652 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.94 -42.39 99.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.28 -27.39 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.535 HG11 HD21 ' A' ' 14' ' ' LEU . 96.7 t -68.88 -57.16 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.981 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HD2' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -70.58 -33.02 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.66 -178.838 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -68.48 -34.23 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.35 -35.16 63.56 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.718 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.61 -33.2 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.738 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.11 -52.43 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.095 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.43 -48.09 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.269 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.6 32.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.449 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.36 -76.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -164.4 19.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.77 113.7 22.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.538 HG12 ' HZ2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -78.26 -36.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.78 -58.49 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.66 -42.57 92.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.28 -28.7 69.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.325 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -76.4 -33.39 58.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.316 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.2 m -64.19 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.993 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 tt -88.26 -23.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.893 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? -55.9 -36.11 67.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -76.43 -31.53 57.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.31 -73.41 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -65.66 141.6 58.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.058 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 4' ' ' LEU . 6.7 mp -104.66 -58.22 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 8' ' ' ASP . 11.5 pt-20 -60.46 144.4 51.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -129.8 -54.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.7 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.8 -32.84 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.956 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 5' ' ' GLU . 19.3 t70 -58.97 -39.64 82.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.0 65.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.762 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -69.91 -44.19 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.169 0.509 . . . . 0.0 109.945 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.582 HD12 ' HE2' ' A' ' 25' ' ' LYS . 55.3 mt -56.76 -58.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.286 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -55.26 -37.38 67.17 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 23.8 tptp -54.27 -33.16 57.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.55 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD21 HG11 ' A' ' 24' ' ' VAL . 6.8 mp -85.45 -30.12 23.78 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.404 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.537 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 8.9 mmm -60.45 -25.62 66.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.463 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.03 -55.8 7.24 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.195 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -58.48 -38.61 77.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.988 0.423 . . . . 0.0 110.62 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.79 92.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.727 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -151.62 -174.48 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.726 0.298 . . . . 0.0 110.657 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.45 145.0 34.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.48 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -74.55 -37.52 62.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 109.898 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.48 -38.62 91.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.513 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.76 -29.92 68.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.55 HG11 HD21 ' A' ' 14' ' ' LEU . 52.2 t -69.23 -65.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.487 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HE2' HD12 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.34 -43.32 78.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.492 -179.31 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' O ' HG13 ' A' ' 30' ' ' ILE . 10.1 ptm180 -63.14 -37.21 86.31 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.55 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.41 71.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.16 0.505 . . . . 0.0 110.289 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -71.32 -33.76 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.046 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.14 -37.05 54.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.411 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 26' ' ' ARG . 75.3 mt -55.66 -63.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.295 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.05 45.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 64.3 -77.38 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -161.46 14.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 110.684 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.88 111.92 14.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.433 HG23 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -70.75 -33.61 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.24 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.22 -60.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.153 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.92 -47.24 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.555 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -56.65 -30.83 63.78 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.34 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -74.19 -34.85 63.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.508 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -59.48 -45.95 90.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.126 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.3 mp -77.44 -29.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.269 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.8 tm? -55.73 -39.99 71.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.59 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 7.7 tpm_? -69.19 -68.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -125.89 -80.7 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.612 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -174.1 -75.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.627 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.263 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.588 0.232 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB3' ' H ' ' A' ' 5' ' ' GLU . 7.1 mp 55.95 -159.36 0.21 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' A' ' 4' ' ' LEU . 11.4 pt-20 -53.89 -27.32 29.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.56 91.8 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.956 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.24 -34.97 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.304 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.0 -45.46 82.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.701 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.9 -35.49 64.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 110.415 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.8 mmpt? -71.19 -41.06 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.746 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.583 HD12 ' HE3' ' A' ' 25' ' ' LYS . 68.9 mt -61.74 -57.38 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.331 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.5 60.74 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.9 tptt -54.19 -38.26 65.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.239 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD12 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -79.03 -27.36 43.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.45 178.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mmm -69.92 -18.82 63.4 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.643 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.13 -57.12 5.7 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.308 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -59.84 -36.71 77.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.753 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.64 99.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.839 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.439 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -155.84 -178.42 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.592 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.6 145.92 22.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.505 ' HB2' ' HZ2' ' A' ' 25' ' ' LYS . 45.1 p90 -76.34 -27.56 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.22 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.7 -44.21 78.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.568 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 36.7 mt-10 -67.31 -28.24 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.612 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.524 HG11 HD21 ' A' ' 14' ' ' LEU . 70.8 t -72.53 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.583 ' HE3' HD12 ' A' ' 11' ' ' ILE . 13.6 mptt -55.87 -36.16 67.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.614 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.6 ptt180 -70.28 -38.64 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.346 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.45 -18.01 62.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.65 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD22 HD11 ' A' ' 14' ' ' LEU . 54.2 mt -86.2 -57.39 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.03 -44.18 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.44 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.419 ' C ' ' H ' ' A' ' 32' ' ' GLN . 90.3 mt -65.7 -43.27 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.616 -179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 26.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 30' ' ' ILE . 48.7 mt-30 52.87 48.43 22.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.356 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 59.44 61.34 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -131.98 126.33 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.581 HG23 HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -90.21 -37.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.178 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.16 -57.67 11.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.467 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -60.84 -29.99 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.664 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -69.95 -49.96 46.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -57.38 -33.14 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.316 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.2 mt -86.33 -23.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.821 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.1 tm? -64.35 -40.36 95.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.674 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -90.63 -23.23 20.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.01 -37.1 73.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -75.24 80.53 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.755 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.065 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' HB3' ' HD2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.877 0.37 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 HD11 ' N ' ' A' ' 4' ' ' LEU . 7.0 mp -71.2 -61.8 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.2 161.92 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 57.26 68.1 0.9 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.233 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -62.81 -30.57 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.979 0.419 . . . . 0.0 110.656 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.28 -35.49 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.383 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.26 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.356 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -68.73 -45.93 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.306 0.574 . . . . 0.0 109.819 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.557 HD12 ' HE3' ' A' ' 25' ' ' LYS . 60.9 mt -56.53 -58.15 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.218 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.16 -36.7 66.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.661 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.0 tptt -54.13 -33.97 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.25 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD21 HG11 ' A' ' 24' ' ' VAL . 5.9 mp -84.43 -29.62 25.98 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.385 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.5 mtt -59.87 -25.46 65.08 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.372 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -57.44 5.56 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.217 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.78 -39.34 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.654 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.93 83.16 1.35 Allowed Glycine 0 C--N 1.331 0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.681 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -142.2 -179.55 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -53.86 150.56 7.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.891 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.531 ' HB3' ' HZ1' ' A' ' 25' ' ' LYS . 93.4 m-85 -78.51 -31.75 47.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.344 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -44.09 89.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.763 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.402 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 40.6 mt-10 -65.19 -30.48 71.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.526 HG11 HD21 ' A' ' 14' ' ' LEU . 81.6 t -71.12 -67.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.861 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HE3' HD12 ' A' ' 11' ' ' ILE . 13.2 mptt -55.11 -34.09 63.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.771 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 25.2 ptt180 -71.06 -38.31 72.5 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.444 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 38' ' ' ALA . . . -70.61 -23.43 62.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.417 . . . . 0.0 110.524 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 mt -85.31 -37.4 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.979 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -69.96 -51.91 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.105 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.88 -45.67 79.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.21 30.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.377 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 65.09 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' C ' HD21 ' A' ' 33' ' ' ASN . 0.3 OUTLIER -155.0 25.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -95.98 126.15 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -83.34 -28.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.34 -59.43 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.51 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.29 -37.45 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.181 0.515 . . . . 0.0 109.683 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.17 -36.08 82.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.112 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -68.05 -32.86 73.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.358 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 t -64.15 -45.56 87.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.436 HG12 ' HB2' ' A' ' 46' ' ' ALA . 46.9 mt -77.64 -27.22 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.655 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.0 tm? -64.61 -43.05 94.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.04 -67.12 0.42 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.648 ' HG3' ' H ' ' A' ' 45' ' ' PHE . 3.3 pt-20 -124.63 -80.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' H ' ' HG3' ' A' ' 44' ' ' GLU . 65.2 t80 -171.74 142.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.776 0.322 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.48 -170.96 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -84.2 89.34 7.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.015 0.436 . . . . 0.0 110.987 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -109.32 -153.69 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.659 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 11' ' ' ILE . 28.8 m -51.59 -30.64 11.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.66 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.12 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.71 58.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.967 0.413 . . . . 0.0 110.257 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -71.55 -41.63 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.766 179.021 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.607 HD12 ' HE3' ' A' ' 25' ' ' LYS . 66.8 mt -59.69 -59.02 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.264 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.28 57.71 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.764 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 28.0 tptp -53.9 -38.84 65.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.814 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.545 HD21 HG11 ' A' ' 24' ' ' VAL . 8.0 mp -84.24 -26.29 28.78 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.681 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' ILE . 98.0 mmm -64.03 -24.71 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.342 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.31 -56.69 10.23 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.972 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.38 -34.34 66.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.554 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.31 85.39 0.71 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.56 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' HB2' HD13 ' A' ' 42' ' ' LEU . 3.4 m-85 -144.88 -176.76 5.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.694 0.283 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.57 142.11 18.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.511 ' HB2' ' HZ1' ' A' ' 25' ' ' LYS . 43.4 p90 -75.93 -31.67 59.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.1 -46.02 90.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.483 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.69 -38.15 89.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.454 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.545 HG11 HD21 ' A' ' 14' ' ' LEU . 96.4 t -65.2 -70.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.12 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.607 ' HE3' HD12 ' A' ' 11' ' ' ILE . 13.6 mptt -51.46 -43.77 62.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -63.16 -36.14 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.706 0.288 . . . . 0.0 110.877 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' ' 38' ' ' ALA . . . -75.02 -21.37 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.142 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 mt -85.86 -43.91 12.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.343 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.87 -45.94 69.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.369 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.12 -46.46 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.93 27.86 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 64.1 -78.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.085 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.16 28.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.606 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -97.15 119.39 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.49 -27.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.799 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.21 -53.81 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.475 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -63.53 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.21 0.529 . . . . 0.0 109.876 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.23 -27.46 69.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -74.16 -42.09 60.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.1 p -59.81 -43.65 94.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.375 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tp -74.99 -26.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -67.82 -31.28 71.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -58.72 -69.07 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.432 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -126.1 -77.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -163.93 12.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.383 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.988 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.757 0.313 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.3 mm? -94.36 -60.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -117.07 137.2 52.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -110.27 -176.47 3.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 m -62.29 -36.08 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.68 -41.37 73.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.055 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.4 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 10.7 mmmm -70.38 -40.35 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.111 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.614 HD12 ' HE2' ' A' ' 25' ' ' LYS . 57.4 mt -60.57 -58.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.201 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.59 65.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 51.4 tptt -55.2 -35.41 64.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.547 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD21 HG11 ' A' ' 24' ' ' VAL . 1.9 mp -83.08 -30.67 27.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.0 mtp -64.69 -20.2 66.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.556 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.76 -54.33 9.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.934 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.33 -38.72 87.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.58 95.21 1.64 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.941 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' HB2' HD12 ' A' ' 42' ' ' LEU . 1.1 m-85 -155.77 -176.47 5.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.728 0.299 . . . . 0.0 110.761 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.83 154.5 9.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -82.45 -39.84 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.129 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.56 -38.79 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.837 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.71 -33.03 73.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.36 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 14' ' ' LEU . 75.6 t -69.04 -66.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.611 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.614 ' HE2' HD12 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -53.54 -42.81 67.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.389 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -63.03 -38.62 91.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.14 69.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.8 mt -70.69 -47.31 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.247 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.36 -44.58 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.325 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -52.67 -60.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.226 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.79 39.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.198 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 62.7 -85.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -151.97 27.35 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.528 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -90.7 124.79 35.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG23 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -86.83 -28.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.816 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.29 -56.01 25.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.16 -47.02 93.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.362 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB2' HD22 ' A' ' 14' ' ' LEU . . . -56.1 -40.37 73.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.103 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.3 mtp180 -68.9 -34.03 74.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.474 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -59.61 -37.46 78.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 pt -96.56 -12.54 8.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD12 ' HB2' ' A' ' 19' ' ' TYR . 2.0 tm? -66.01 -52.07 52.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -83.93 -27.23 28.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.379 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.51 18.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.363 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -84.05 93.89 8.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.724 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.116 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.561 0.219 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt 61.67 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -95.91 108.47 20.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.969 0.414 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -143.76 -59.67 0.4 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 m -73.5 -28.4 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.379 . . . . 0.0 110.979 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.78 -39.29 88.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.76 68.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.754 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -69.63 -45.56 68.21 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.627 HD12 ' HE2' ' A' ' 25' ' ' LYS . 65.9 mt -57.06 -58.78 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.386 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.44 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.735 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 24.8 tptt -53.55 -34.8 59.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.588 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 HG11 ' A' ' 24' ' ' VAL . 6.6 mp -85.52 -28.6 24.84 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.405 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.7 mmt -62.49 -23.47 66.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.91 -56.24 9.01 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.946 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.17 -35.98 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.962 0.411 . . . . 0.0 110.632 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.15 100.86 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.688 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.538 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -155.85 -171.2 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.624 0.25 . . . . 0.0 110.688 179.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -176.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -101.89 -53.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.826 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.91 -34.92 63.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 39.5 mt-10 -70.95 -37.81 72.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.511 HG11 HD21 ' A' ' 14' ' ' LEU . 63.2 t -69.46 -59.16 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.386 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.627 ' HE2' HD12 ' A' ' 11' ' ' ILE . 1.1 mptm? -55.45 -46.34 76.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.295 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 26.3 ptt180 -60.72 -36.41 78.79 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.42 -24.7 63.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.318 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.75 -30.32 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.891 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.06 -50.31 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.96 -41.92 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.161 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.88 8.51 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 69.07 -72.97 0.09 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -157.29 19.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.83 120.4 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.414 HG12 ' HZ2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -89.89 -27.67 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -57.4 -52.61 64.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.402 HG11 ' N ' ' A' ' 38' ' ' ALA . 7.7 p -61.2 -41.68 90.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 110.25 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.03 -31.87 73.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.54 -39.58 81.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.1 m -62.94 -39.12 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.226 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.26 -27.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -73.18 -33.52 65.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.802 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -83.74 -33.33 25.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.256 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.09 19.35 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.171 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 59.88 -174.36 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.01 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.024 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.3 tp 61.0 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.102 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.92 164.0 23.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.781 0.324 . . . . 0.0 110.656 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -77.16 73.37 3.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m -59.6 -33.54 52.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.229 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.31 -42.07 69.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -36.66 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.408 . . . . 0.0 110.437 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 26.5 mmmt -71.44 -39.66 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.755 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.405 HG21 ' HE3' ' A' ' 25' ' ' LYS . 52.6 mt -60.74 -57.34 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.808 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.23 -37.06 64.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.3 tptt -54.45 -36.9 64.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.426 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD12 HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -81.12 -32.29 33.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.243 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -65.1 -18.17 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 -53.67 12.81 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.768 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -60.57 -52.77 63.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.071 0.463 . . . . 0.0 110.505 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.03 100.19 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.543 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -156.0 -174.97 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.41 139.4 37.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.669 0.271 . . . . 0.0 110.474 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 72.2 m-85 -73.59 -37.96 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.158 0.504 . . . . 0.0 109.863 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 1.7 tm-20 -63.35 -42.83 98.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 40.4 mt-10 -67.23 -35.36 79.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.863 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG11 HD21 ' A' ' 14' ' ' LEU . 51.1 t -64.34 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 21' ' ' PHE . 14.0 mptt -55.75 -47.49 76.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 4.2 ptp180 -60.7 -32.19 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.15 -25.45 60.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.502 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.8 mt -81.21 -46.34 14.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.361 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.1 -56.13 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.449 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.434 ' C ' ' H ' ' A' ' 32' ' ' GLN . 68.8 mt -56.31 -41.5 71.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.869 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 15.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' ' 30' ' ' ILE . 36.0 mt-30 58.18 49.41 11.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.903 0.382 . . . . 0.0 111.046 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 57.63 58.19 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -129.91 101.91 6.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG23 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.71 -30.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.295 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.59 -62.55 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.335 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -55.64 -46.94 79.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.644 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB2' HD22 ' A' ' 14' ' ' LEU . . . -57.67 -39.3 76.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -68.98 -33.87 74.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.587 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -57.67 -46.17 84.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.063 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -81.79 -23.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.632 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -67.96 -29.49 68.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.415 179.729 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -88.03 -25.03 23.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.729 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.24 -28.63 65.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -126.74 124.28 39.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.274 -0.87 . . . . 0.0 111.049 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.734 0.302 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -126.56 -75.25 0.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -99.24 135.55 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -144.0 -167.32 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 m -57.53 -39.0 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.295 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.62 -46.29 77.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.79 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.12 63.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.463 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 11.7 mmmm -69.46 -38.52 77.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.755 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.546 HD12 ' HE2' ' A' ' 25' ' ' LYS . 57.2 mt -62.69 -57.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -52.39 -38.69 59.56 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 46.0 tptt -53.2 -40.34 64.37 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.136 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD21 HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -76.48 -30.26 57.19 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.555 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.475 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -66.65 -18.54 65.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.654 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.59 -54.89 4.75 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.168 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.586 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.15 84.98 1.5 Allowed Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.621 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -142.08 -179.56 6.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.644 0.259 . . . . 0.0 111.292 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.4 153.07 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.5 p90 -79.87 -32.05 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.87 -45.41 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.99 -33.32 75.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.474 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.46 HG11 HD21 ' A' ' 14' ' ' LEU . 74.8 t -68.79 -68.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.999 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' HE2' HD12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.93 -38.8 65.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.9 -36.42 80.18 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.553 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.01 -30.19 66.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.925 0.393 . . . . 0.0 110.621 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 mt -75.73 -39.12 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.759 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.5 -51.21 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.965 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.89 -49.04 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.81 29.97 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.263 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 64.76 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -151.09 24.57 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.749 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.14 126.4 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG23 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.36 -41.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.786 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -54.06 -53.24 55.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.86 -44.41 98.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 110.111 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.475 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -71.77 -39.68 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -59.5 -44.43 93.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.279 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 pt -79.02 -27.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? -59.08 -35.93 74.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.721 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -86.98 -55.16 3.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.79 -74.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.096 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -72.63 98.54 2.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.099 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.748 0.309 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -100.18 5.48 44.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 58.28 79.82 0.2 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.198 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 t -59.57 -36.08 62.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.37 -43.02 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.613 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.356 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 20.2 mmmt -71.4 -39.55 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.415 0.626 . . . . 0.0 109.485 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.1 mt -60.53 -58.36 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.289 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -35.62 63.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 tptt -55.38 -36.63 66.58 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.517 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD22 ' HB2' ' A' ' 38' ' ' ALA . 5.5 mp -85.71 -28.41 24.67 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.585 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -65.72 -20.01 66.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.234 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.91 -55.93 13.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.854 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.65 -36.57 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 87.73 0.9 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.425 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -147.39 -178.8 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.559 0.219 . . . . 0.0 110.9 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -46.3 128.91 10.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.452 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 97.1 m-85 -71.17 -34.19 70.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.116 0.484 . . . . 0.0 109.874 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.78 -42.08 95.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.488 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.6 -28.86 68.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 20' ' ' ALA . 79.1 t -72.23 -64.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.505 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 21' ' ' PHE . 1.3 mptm? -52.16 -43.13 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.347 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -65.58 -39.43 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.57 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -16.78 62.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.9 mt -89.33 -53.7 4.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.215 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.08 -53.98 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.17 -45.59 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.373 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 56.92 -92.94 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.89 4.62 0.41 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.775 0.321 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -62.36 121.63 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 73.3 t -85.67 -37.31 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -56.82 -50.12 73.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.758 0.314 . . . . 0.0 110.701 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.7 -41.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.063 0.459 . . . . 0.0 110.277 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.52 -26.04 68.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -76.62 -39.66 51.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.7 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.6 p -62.82 -36.42 83.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.161 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.95 -37.68 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.81 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.7 tm? -62.13 -38.01 87.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.513 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -71.78 -29.3 64.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.104 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.24 9.39 31.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.02 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 62.04 -83.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.204 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -92.39 -67.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -99.58 124.04 44.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -142.73 -38.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 11' ' ' ILE . 24.9 m -61.37 -34.19 60.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -57.5 -45.89 84.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.04 -35.74 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.96 0.409 . . . . 0.0 110.202 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HZ2' HG12 ' A' ' 35' ' ' VAL . 6.2 mmpt? -69.47 -42.8 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.316 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 7' ' ' VAL . 66.1 mt -58.1 -57.94 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.335 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -53.26 -39.71 64.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.746 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 13.7 tptm -53.25 -36.3 60.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.629 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' A' ' 38' ' ' ALA . 7.4 mp -88.53 -21.97 23.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.704 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.429 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 90.4 mmm -66.32 -23.94 66.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.37 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.81 -56.14 7.74 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.916 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -35.28 68.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 110.47 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.17 91.92 0.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.689 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.54 -175.93 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.824 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.62 142.5 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -74.54 -33.33 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 109.977 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.0 -38.96 89.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.26 -25.75 65.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.015 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.531 HG11 HD21 ' A' ' 14' ' ' LEU . 63.7 t -74.44 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.756 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -68.85 -28.25 66.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.346 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -76.74 -36.52 57.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -25.32 62.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.28 -52.43 8.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.045 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.22 -51.66 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.26 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -55.0 -42.04 62.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 23.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.739 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 57.61 46.72 17.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.4 m120 59.21 59.48 2.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -136.14 126.57 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.745 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG12 ' HZ2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -79.63 -28.42 12.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.16 -64.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.775 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -57.77 -36.78 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.916 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB2' HD22 ' A' ' 14' ' ' LEU . . . -65.23 -29.85 70.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.265 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.53 -32.7 64.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.494 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 tt -81.8 -31.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.348 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -69.68 -44.6 70.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.765 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -71.64 -57.52 4.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -62.74 -81.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.255 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -171.41 150.35 2.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.017 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.749 0.309 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.81 -36.43 67.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.064 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.57 92.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.9 mmpt? -69.2 -49.47 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.927 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' HE2' ' A' ' 25' ' ' LYS . 68.1 mt -55.04 -56.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.246 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.2 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.741 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.7 tptt -56.36 -32.95 65.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.557 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.678 HD22 HG13 ' A' ' 24' ' ' VAL . 8.4 mp -89.55 -23.45 22.01 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.329 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.57 -28.6 69.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.436 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.52 -56.26 9.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.072 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -57.7 -37.26 73.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.615 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.78 97.19 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.913 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -155.78 -177.46 6.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.543 0.211 . . . . 0.0 110.622 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -54.36 154.84 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.905 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.71 -44.87 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.086 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -58.19 -40.78 82.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 39.8 mt-10 -66.38 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.558 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.678 HG13 HD22 ' A' ' 14' ' ' LEU . 53.0 t -69.04 -63.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.879 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -52.56 -46.16 66.71 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.468 -179.29 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 28.4 ptt180 -63.89 -36.87 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -18.58 62.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.38 . . . . 0.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.94 -54.73 4.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.252 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -62.97 -52.63 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.629 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -56.26 -42.12 72.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.12 14.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 63.36 52.74 2.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.885 0.374 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 57.36 33.84 23.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.489 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -106.31 122.16 45.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG23 HD11 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -83.75 -34.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.074 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.06 -52.69 63.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.464 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.89 -46.3 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -55.68 -43.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.238 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.27 -36.08 80.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.64 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.451 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.1 pt -93.31 -10.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.225 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.438 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 11' ' ' ILE . 25.1 m . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.767 0.318 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.68 -37.23 63.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.53 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -66.66 -37.22 84.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' HE3' ' A' ' 25' ' ' LYS . 54.7 mt -58.59 -57.43 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -58.48 -36.74 74.21 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 20.4 tptm -55.82 -28.77 57.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 24' ' ' VAL . 4.6 mp -89.52 -29.36 19.0 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.876 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.509 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -62.72 -22.67 66.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.286 179.654 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.1 -55.77 8.36 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.959 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.64 -33.71 66.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.996 0.427 . . . . 0.0 110.503 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.17 89.49 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.896 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.54 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -149.69 -175.45 5.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.531 0.205 . . . . 0.0 110.689 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.38 134.69 53.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.52 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -69.84 -29.75 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.143 0.497 . . . . 0.0 109.779 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.21 -44.62 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.467 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.598 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 37.6 mt-10 -65.61 -29.26 69.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 20' ' ' ALA . 76.9 t -67.08 -63.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.677 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.4 mptt -54.88 -45.25 74.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.562 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.598 ' HE ' ' HA ' ' A' ' 23' ' ' GLU . 16.0 ptt180 -60.96 -36.43 79.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.62 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.87 -31.46 68.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.3 mt -82.64 -25.19 33.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.9 -57.27 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.338 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -50.82 -50.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.545 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.05 38.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.224 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 60.61 -84.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -148.23 -5.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.265 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.83 127.46 31.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.476 HG23 HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.09 -31.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.276 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.65 -53.06 59.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.72 -41.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.183 0.516 . . . . 0.0 109.998 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.53 -28.92 69.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.196 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -73.65 -39.76 64.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.304 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -60.2 -37.38 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.043 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.1 mt -82.83 -30.7 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.831 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.3 tm? . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.691 0.281 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.9 -42.91 85.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.93 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.562 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.8 mmpt? -72.28 -42.17 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 109.842 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.623 HD13 ' HE2' ' A' ' 25' ' ' LYS . 56.7 mt -58.89 -58.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.25 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.97 66.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 27.7 tptp -54.67 -34.59 62.46 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.431 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.609 HD22 HG13 ' A' ' 24' ' ' VAL . 6.6 mp -84.03 -28.78 27.42 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.307 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.4 mtp -63.66 -21.51 66.42 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.83 -53.77 16.6 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.628 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.161 0.505 . . . . 0.0 110.265 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.14 85.51 0.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.962 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.527 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.6 m-85 -145.73 179.97 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.554 0.216 . . . . 0.0 110.552 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.17 146.32 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.646 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.492 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.0 p90 -76.31 -35.85 58.6 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.38 -41.12 96.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.551 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 41.3 mt-10 -67.05 -33.09 74.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.491 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.609 HG13 HD22 ' A' ' 14' ' ' LEU . 81.7 t -68.51 -64.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.742 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.29 -46.76 69.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.2 ptt180 -61.56 -38.29 86.95 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.676 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.72 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -74.95 -52.54 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.515 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.365 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.18 -43.89 82.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.443 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.36 22.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.525 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.83 52.22 8.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.312 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 m120 58.11 56.14 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -128.18 126.85 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -81.83 -49.28 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.28 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 37' ' ' VAL . 5.6 pt-20 -47.89 -56.82 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.449 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 33.8 t -58.88 -52.27 62.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.971 0.415 . . . . 0.0 110.726 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.24 -19.72 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.628 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 35' ' ' VAL . 5.2 ttp180 -80.42 -31.72 37.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -72.45 -37.08 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.11 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 38' ' ' ALA . 18.1 tt -82.33 -25.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.989 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.491 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.849 0.357 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.12 -34.81 78.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.75 90.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.284 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.9 mmpt? -66.63 -49.09 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.024 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.67 HD13 ' HE2' ' A' ' 25' ' ' LYS . 75.1 mt -56.04 -58.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.466 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.15 -34.99 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.911 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.7 tptt -56.21 -35.51 67.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.425 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.73 HD22 HG13 ' A' ' 24' ' ' VAL . 7.8 mp -84.2 -26.03 29.06 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.95 -24.41 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.202 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -53.79 16.9 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.647 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -57.33 -38.28 73.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.328 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.16 78.45 1.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.063 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -140.92 176.55 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.501 0.191 . . . . 0.0 110.595 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -53.52 135.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 30.3 p90 -72.49 -32.71 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.98 -46.01 92.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.243 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 40.1 mt-10 -64.87 -29.27 70.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.73 HG13 HD22 ' A' ' 14' ' ' LEU . 82.3 t -67.6 -65.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.67 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -51.04 -46.64 61.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.559 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.9 ptp180 -59.96 -38.46 82.53 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.217 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -67.43 -36.05 80.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.104 0.478 . . . . 0.0 110.826 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.93 -65.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.95 -54.12 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.816 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.6 mt -55.4 -44.35 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.42 25.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.58 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 55.36 50.91 13.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.5 t30 57.25 59.02 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -124.27 132.03 53.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.737 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.29 -36.8 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.297 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.14 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.383 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.75 -43.06 72.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.083 0.468 . . . . 0.0 110.534 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.09 -36.78 80.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.523 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -64.05 -40.18 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.4 p -61.85 -47.41 85.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.335 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.4 pt -77.35 -11.96 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.273 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 11' ' ' ILE . 10.2 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.598 0.237 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.65 -38.64 60.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.26 90.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.761 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 10.1 mmmm -68.98 -41.67 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 0.0 110.034 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.435 HD13 ' HD2' ' A' ' 25' ' ' LYS . 52.3 mt -58.07 -58.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.341 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.71 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.5 tptt -53.24 -34.45 57.22 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.606 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD22 HG13 ' A' ' 24' ' ' VAL . 6.5 mp -86.97 -27.57 23.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.583 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -62.9 -22.84 67.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.41 -56.43 7.17 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.048 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.74 -42.89 89.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.858 0.361 . . . . 0.0 110.629 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.13 87.74 1.84 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.824 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-85 -149.94 179.94 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.651 0.262 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -55.14 139.96 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -71.83 -29.95 64.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.237 0.541 . . . . 0.0 109.652 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.94 -42.39 99.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.28 -27.39 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 20' ' ' ALA . 96.7 t -68.88 -57.16 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.981 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -70.58 -33.02 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.66 -178.838 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -68.48 -34.23 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.35 -35.16 63.56 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.718 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.61 -33.2 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.738 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.11 -52.43 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.095 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.43 -48.09 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.269 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.6 32.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.449 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.36 -76.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -164.4 19.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -85.77 113.7 22.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -36.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.78 -58.49 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.66 -42.57 92.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.28 -28.7 69.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.325 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -76.4 -33.39 58.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.316 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.2 m -64.19 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.993 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 tt -88.26 -23.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.893 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? . . . . . 0 C--N 1.333 -0.136 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.865 0.364 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.97 -39.64 82.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.0 65.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.762 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -69.91 -44.19 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.169 0.509 . . . . 0.0 109.945 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' HE2' ' A' ' 25' ' ' LYS . 55.3 mt -56.76 -58.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.286 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.554 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -55.26 -37.38 67.17 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 23.8 tptp -54.27 -33.16 57.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.55 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.655 HD22 HG13 ' A' ' 24' ' ' VAL . 6.8 mp -85.45 -30.12 23.78 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.404 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.554 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 8.9 mmm -60.45 -25.62 66.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.463 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.03 -55.8 7.24 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.195 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -58.48 -38.61 77.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.988 0.423 . . . . 0.0 110.62 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.79 92.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.727 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.444 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -151.62 -174.48 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.726 0.298 . . . . 0.0 110.657 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -57.45 145.0 34.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.48 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 95.7 m-85 -74.55 -37.52 62.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 109.898 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.48 -38.62 91.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.513 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.76 -29.92 68.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.655 HG13 HD22 ' A' ' 14' ' ' LEU . 52.2 t -69.23 -65.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.487 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.34 -43.32 78.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.492 -179.31 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 30' ' ' ILE . 10.1 ptm180 -63.14 -37.21 86.31 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.55 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.41 71.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.16 0.505 . . . . 0.0 110.289 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -71.32 -33.76 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.046 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.14 -37.05 54.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.411 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 26' ' ' ARG . 75.3 mt -55.66 -63.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.295 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.05 45.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 64.3 -77.38 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -161.46 14.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 110.684 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.88 111.92 14.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -33.61 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.24 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.22 -60.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.153 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.92 -47.24 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.555 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -56.65 -30.83 63.78 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.34 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -74.19 -34.85 63.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.508 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -59.48 -45.95 90.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.126 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 41' ' ' ILE . 3.3 mp -77.44 -29.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.269 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.8 tm? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.59 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.613 0.244 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.0 -45.46 82.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.701 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.9 -35.49 64.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 110.415 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.8 mmpt? -71.19 -41.06 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.746 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.606 HD13 ' HE3' ' A' ' 25' ' ' LYS . 68.9 mt -61.74 -57.38 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.331 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.5 60.74 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.9 tptt -54.19 -38.26 65.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.239 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.697 HD12 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -79.03 -27.36 43.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.45 178.853 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mmm -69.92 -18.82 63.4 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.643 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.13 -57.12 5.7 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.308 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -59.84 -36.71 77.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.753 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.64 99.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.839 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.47 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -155.84 -178.42 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.592 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -55.6 145.92 22.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.452 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 45.1 p90 -76.34 -27.56 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.22 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.7 -44.21 78.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.568 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 36.7 mt-10 -67.31 -28.24 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.612 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 14' ' ' LEU . 70.8 t -72.53 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.6 mptt -55.87 -36.16 67.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.614 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.6 ptt180 -70.28 -38.64 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.346 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.45 -18.01 62.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.65 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 mt -86.2 -57.39 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.171 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.03 -44.18 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.44 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.7 -43.27 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.616 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 26.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 52.87 48.43 22.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.356 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 59.44 61.34 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -131.98 126.33 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.697 HG23 HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -90.21 -37.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.178 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.16 -57.67 11.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.467 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -60.84 -29.99 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.664 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -69.95 -49.96 46.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -57.38 -33.14 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.316 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.2 mt -86.33 -23.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.821 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.1 tm? . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.674 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.979 0.419 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.28 -35.49 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.383 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.26 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.356 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -68.73 -45.93 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.306 0.574 . . . . 0.0 109.819 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.581 HD13 ' HE3' ' A' ' 25' ' ' LYS . 60.9 mt -56.53 -58.15 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.218 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.16 -36.7 66.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.661 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.0 tptt -54.13 -33.97 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.25 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.618 HD22 HG13 ' A' ' 24' ' ' VAL . 5.9 mp -84.43 -29.62 25.98 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.385 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.5 mtt -59.87 -25.46 65.08 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.372 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -57.44 5.56 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.217 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.78 -39.34 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.654 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.93 83.16 1.35 Allowed Glycine 0 C--N 1.331 0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.681 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -142.2 -179.55 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -53.86 150.56 7.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.891 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.51 -31.75 47.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -44.09 89.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.763 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 40.6 mt-10 -65.19 -30.48 71.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.618 HG13 HD22 ' A' ' 14' ' ' LEU . 81.6 t -71.12 -67.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.861 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.2 mptt -55.11 -34.09 63.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.771 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 25.2 ptt180 -71.06 -38.31 72.5 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.444 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.499 ' HB1' ' HA ' ' A' ' 38' ' ' ALA . . . -70.61 -23.43 62.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.417 . . . . 0.0 110.524 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 mt -85.31 -37.4 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.979 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -69.96 -51.91 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.105 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.88 -45.67 79.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.21 30.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.377 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 65.09 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -155.0 25.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -95.98 126.15 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG13 ' OE2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -83.34 -28.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.861 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' OE2' HG13 ' A' ' 35' ' ' VAL . 2.9 mp0 -61.34 -59.43 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.51 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.29 -37.45 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.181 0.515 . . . . 0.0 109.683 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . . . -63.17 -36.08 82.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.112 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -68.05 -32.86 73.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.358 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 t -64.15 -45.56 87.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.9 mt -77.64 -27.22 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.655 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.0 tm? . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 11' ' ' ILE . 28.8 m . . . . . 0 C--O 1.228 -0.057 0 CA-C-O 120.616 0.246 . . . . 0.0 111.66 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.12 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.71 58.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.967 0.413 . . . . 0.0 110.257 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -71.55 -41.63 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.766 179.021 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.64 HD13 ' HE3' ' A' ' 25' ' ' LYS . 66.8 mt -59.69 -59.02 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.264 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.28 57.71 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.764 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 28.0 tptp -53.9 -38.84 65.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.814 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.642 HD22 HG13 ' A' ' 24' ' ' VAL . 8.0 mp -84.24 -26.29 28.78 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.681 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' ILE . 98.0 mmm -64.03 -24.71 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.342 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.31 -56.69 10.23 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.972 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.38 -34.34 66.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.554 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.31 85.39 0.71 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.56 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.531 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.4 m-85 -144.88 -176.76 5.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.694 0.283 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.57 142.11 18.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.4 p90 -75.93 -31.67 59.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.1 -46.02 90.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.483 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.69 -38.15 89.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.454 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.642 HG13 HD22 ' A' ' 14' ' ' LEU . 96.4 t -65.2 -70.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.12 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.64 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.6 mptt -51.46 -43.77 62.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -63.16 -36.14 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.706 0.288 . . . . 0.0 110.877 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 38' ' ' ALA . . . -75.02 -21.37 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.142 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 mt -85.86 -43.91 12.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.343 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.87 -45.94 69.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.369 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.12 -46.46 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.93 27.86 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 64.1 -78.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.085 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.16 28.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.606 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -97.15 119.39 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.422 HG23 HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -84.49 -27.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.799 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.21 -53.81 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.475 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -63.53 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.21 0.529 . . . . 0.0 109.876 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.23 -27.46 69.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -74.16 -42.09 60.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.1 p -59.81 -43.65 94.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.375 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tp -74.99 -26.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.68 -41.37 73.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.055 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.4 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 10.7 mmmm -70.38 -40.35 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.111 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.631 HD13 ' HE2' ' A' ' 25' ' ' LYS . 57.4 mt -60.57 -58.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.201 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.59 65.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 51.4 tptt -55.2 -35.41 64.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.547 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD22 HG13 ' A' ' 24' ' ' VAL . 1.9 mp -83.08 -30.67 27.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.0 mtp -64.69 -20.2 66.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.556 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.76 -54.33 9.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.934 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.33 -38.72 87.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.58 95.21 1.64 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.941 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.526 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.1 m-85 -155.77 -176.47 5.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.728 0.299 . . . . 0.0 110.761 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.83 154.5 9.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 92.7 m-85 -82.45 -39.84 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.129 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.56 -38.79 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.837 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.71 -33.03 73.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.36 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.627 HG13 HD22 ' A' ' 14' ' ' LEU . 75.6 t -69.04 -66.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.611 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.631 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -53.54 -42.81 67.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.389 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -63.03 -38.62 91.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.14 69.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.621 HD21 HD13 ' A' ' 14' ' ' LEU . 45.8 mt -70.69 -47.31 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.247 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.36 -44.58 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.325 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -52.67 -60.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.226 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.79 39.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.198 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 62.7 -85.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -151.97 27.35 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.528 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -90.7 124.79 35.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -28.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.816 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.29 -56.01 25.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.16 -47.02 93.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.362 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -56.1 -40.37 73.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.103 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.3 mtp180 -68.9 -34.03 74.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.474 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -59.61 -37.46 78.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 pt -96.56 -12.54 8.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.0 tm? . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.897 0.379 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.78 -39.29 88.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.76 68.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.754 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -69.63 -45.56 68.21 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' HE2' ' A' ' 25' ' ' LYS . 65.9 mt -57.06 -58.78 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.386 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.44 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.735 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 24.8 tptt -53.55 -34.8 59.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.588 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 24' ' ' VAL . 6.6 mp -85.52 -28.6 24.84 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.405 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.7 mmt -62.49 -23.47 66.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.91 -56.24 9.01 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.946 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.17 -35.98 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.962 0.411 . . . . 0.0 110.632 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.15 100.86 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.688 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.612 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -155.85 -171.2 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.624 0.25 . . . . 0.0 110.688 179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -176.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -101.89 -53.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.826 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.91 -34.92 63.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 39.5 mt-10 -70.95 -37.81 72.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.596 HG13 HD22 ' A' ' 14' ' ' LEU . 63.2 t -69.46 -59.16 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.386 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.1 mptm? -55.45 -46.34 76.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.295 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 26.3 ptt180 -60.72 -36.41 78.79 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.42 -24.7 63.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.318 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.75 -30.32 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.891 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.06 -50.31 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.96 -41.92 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.161 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.88 8.51 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 69.07 -72.97 0.09 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -157.29 19.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.83 120.4 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.45 HG13 ' OE2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.89 -27.67 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' OE2' HG13 ' A' ' 35' ' ' VAL . 3.5 mp0 -57.4 -52.61 64.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.2 -41.68 90.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 110.25 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.03 -31.87 73.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.54 -39.58 81.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.1 m -62.94 -39.12 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.226 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.26 -27.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.658 0.266 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.31 -42.07 69.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -36.66 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.408 . . . . 0.0 110.437 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 26.5 mmmt -71.44 -39.66 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.755 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.565 HG21 ' HE3' ' A' ' 25' ' ' LYS . 52.6 mt -60.74 -57.34 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.808 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.23 -37.06 64.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.3 tptt -54.45 -36.9 64.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.426 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.586 HD22 HG13 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -81.12 -32.29 33.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.243 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -65.1 -18.17 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 -53.67 12.81 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.768 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -60.57 -52.77 63.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.071 0.463 . . . . 0.0 110.505 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.03 100.19 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.543 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -156.0 -174.97 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -54.41 139.4 37.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.669 0.271 . . . . 0.0 110.474 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.474 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 72.2 m-85 -73.59 -37.96 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.158 0.504 . . . . 0.0 109.863 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 1.7 tm-20 -63.35 -42.83 98.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 40.4 mt-10 -67.23 -35.36 79.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.863 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.586 HG13 HD22 ' A' ' 14' ' ' LEU . 51.1 t -64.34 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HE3' HG21 ' A' ' 11' ' ' ILE . 14.0 mptt -55.75 -47.49 76.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.561 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 4.2 ptp180 -60.7 -32.19 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.15 -25.45 60.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.502 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD21 HD13 ' A' ' 14' ' ' LEU . 34.8 mt -81.21 -46.34 14.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.361 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.1 -56.13 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.449 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.31 -41.5 71.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.869 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 15.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 58.18 49.41 11.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.903 0.382 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 57.63 58.19 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -129.91 101.91 6.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.456 HG23 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.71 -30.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.295 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.59 -62.55 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.335 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -55.64 -46.94 79.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.644 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -57.67 -39.3 76.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -68.98 -33.87 74.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.587 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -57.67 -46.17 84.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.063 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -81.79 -23.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.632 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.415 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.667 0.27 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.62 -46.29 77.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.79 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.12 63.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.463 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 11.7 mmmm -69.46 -38.52 77.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.755 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.558 HD13 ' HE2' ' A' ' 25' ' ' LYS . 57.2 mt -62.69 -57.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -52.39 -38.69 59.56 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 46.0 tptt -53.2 -40.34 64.37 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.136 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -76.48 -30.26 57.19 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.555 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.487 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -66.65 -18.54 65.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.654 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.59 -54.89 4.75 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.168 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.586 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.15 84.98 1.5 Allowed Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.621 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -142.08 -179.56 6.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.644 0.259 . . . . 0.0 111.292 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.4 153.07 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.5 p90 -79.87 -32.05 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.87 -45.41 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.99 -33.32 75.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.474 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 14' ' ' LEU . 74.8 t -68.79 -68.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.999 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.93 -38.8 65.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.9 -36.42 80.18 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.553 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.01 -30.19 66.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.925 0.393 . . . . 0.0 110.621 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 mt -75.73 -39.12 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.759 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.5 -51.21 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.965 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.89 -49.04 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.81 29.97 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.263 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 64.76 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -151.09 24.57 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.749 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.14 126.4 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.36 -41.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.786 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -54.06 -53.24 55.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.86 -44.41 98.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 110.111 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.475 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -71.77 -39.68 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -59.5 -44.43 93.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.279 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 pt -79.02 -27.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.721 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.37 -43.02 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.613 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.356 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 20.2 mmmt -71.4 -39.55 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.415 0.626 . . . . 0.0 109.485 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.551 HG21 ' HE2' ' A' ' 25' ' ' LYS . 37.1 mt -60.53 -58.36 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.289 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -35.62 63.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 tptt -55.38 -36.63 66.58 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.517 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD22 HG13 ' A' ' 24' ' ' VAL . 5.5 mp -85.71 -28.41 24.67 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.585 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -65.72 -20.01 66.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.234 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.91 -55.93 13.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.854 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.65 -36.57 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 87.73 0.9 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.425 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -147.39 -178.8 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.559 0.219 . . . . 0.0 110.9 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -46.3 128.91 10.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.481 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 97.1 m-85 -71.17 -34.19 70.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.116 0.484 . . . . 0.0 109.874 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.78 -42.08 95.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.488 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.6 -28.86 68.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 20' ' ' ALA . 79.1 t -72.23 -64.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.505 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 11' ' ' ILE . 1.3 mptm? -52.16 -43.13 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.347 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -65.58 -39.43 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.57 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -16.78 62.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 11' ' ' ILE . 68.9 mt -89.33 -53.7 4.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.215 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.08 -53.98 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.17 -45.59 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.373 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 56.92 -92.94 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.89 4.62 0.41 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.775 0.321 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -62.36 121.63 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.418 HG21 ' HE3' ' A' ' 10' ' ' LYS . 73.3 t -85.67 -37.31 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -56.82 -50.12 73.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.758 0.314 . . . . 0.0 110.701 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.7 -41.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.063 0.459 . . . . 0.0 110.277 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.52 -26.04 68.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -76.62 -39.66 51.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.7 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.6 p -62.82 -36.42 83.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.161 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.95 -37.68 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.81 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.7 tm? . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.513 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' ILE . 24.9 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.673 0.273 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -57.5 -45.89 84.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.04 -35.74 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.96 0.409 . . . . 0.0 110.202 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.2 mmpt? -69.47 -42.8 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.316 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 7' ' ' VAL . 66.1 mt -58.1 -57.94 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.335 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -53.26 -39.71 64.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.746 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 13.7 tptm -53.25 -36.3 60.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.629 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 HG13 ' A' ' 24' ' ' VAL . 7.4 mp -88.53 -21.97 23.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.704 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.437 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 90.4 mmm -66.32 -23.94 66.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.37 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.81 -56.14 7.74 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.916 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -35.28 68.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 110.47 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.17 91.92 0.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.689 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.54 -175.93 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.824 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -57.62 142.5 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -74.54 -33.33 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 109.977 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.0 -38.96 89.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.26 -25.75 65.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.015 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.677 HG13 HD22 ' A' ' 14' ' ' LEU . 63.7 t -74.44 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.756 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -68.85 -28.25 66.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.346 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -76.74 -36.52 57.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -25.32 62.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.28 -52.43 8.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.045 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.22 -51.66 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.26 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -55.0 -42.04 62.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 23.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.739 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 57.61 46.72 17.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 59.21 59.48 2.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -136.14 126.57 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.745 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG23 HD11 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -79.63 -28.42 12.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.16 -64.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.775 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -57.77 -36.78 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.916 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -65.23 -29.85 70.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.265 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.53 -32.7 64.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.494 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 tt -81.8 -31.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.348 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.765 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.863 0.364 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -149.84 -54.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 8' ' ' ASP . 12.7 pt-20 -85.37 145.73 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -117.91 -72.92 0.66 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.177 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.2 m -67.25 -30.8 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.608 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 10.4 m-20 -55.81 -36.43 67.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.064 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.57 92.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.9 mmpt? -69.2 -49.47 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.927 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' HE2' ' A' ' 25' ' ' LYS . 68.1 mt -55.04 -56.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.246 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.2 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.741 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.7 tptt -56.36 -32.95 65.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.557 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.678 HD22 HG13 ' A' ' 24' ' ' VAL . 8.4 mp -89.55 -23.45 22.01 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.329 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.57 -28.6 69.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.436 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.52 -56.26 9.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.072 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -57.7 -37.26 73.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.615 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.78 97.19 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.913 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -155.78 -177.46 6.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.543 0.211 . . . . 0.0 110.622 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -54.36 154.84 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.905 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.71 -44.87 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.086 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -58.19 -40.78 82.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 39.8 mt-10 -66.38 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.558 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.678 HG13 HD22 ' A' ' 14' ' ' LEU . 53.0 t -69.04 -63.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.879 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -52.56 -46.16 66.71 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.468 -179.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 28.4 ptt180 -63.89 -36.87 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -18.58 62.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.38 . . . . 0.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.94 -54.73 4.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.252 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -62.97 -52.63 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.629 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -56.26 -42.12 72.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.12 14.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 63.36 52.74 2.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.885 0.374 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 57.36 33.84 23.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.489 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -106.31 122.16 45.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG23 HD11 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -83.75 -34.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.074 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.06 -52.69 63.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.464 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.89 -46.3 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -55.68 -43.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.238 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.27 -36.08 80.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.64 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.451 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.1 pt -93.31 -10.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.225 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -72.42 -35.0 68.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.438 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -90.62 -11.3 40.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.494 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -86.2 17.48 3.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.512 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.6 t80 63.5 -81.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.215 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.806 0.336 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -99.95 -172.83 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.96 174.16 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -159.14 -62.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 11' ' ' ILE . 25.1 m -78.37 -36.72 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.68 -37.23 63.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.53 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -66.66 -37.22 84.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' HE3' ' A' ' 25' ' ' LYS . 54.7 mt -58.59 -57.43 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -58.48 -36.74 74.21 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 20.4 tptm -55.82 -28.77 57.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 24' ' ' VAL . 4.6 mp -89.52 -29.36 19.0 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.876 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.509 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -62.72 -22.67 66.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.286 179.654 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.1 -55.77 8.36 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.959 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.64 -33.71 66.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.996 0.427 . . . . 0.0 110.503 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.17 89.49 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.896 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.54 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -149.69 -175.45 5.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.531 0.205 . . . . 0.0 110.689 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.38 134.69 53.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.52 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -69.84 -29.75 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.143 0.497 . . . . 0.0 109.779 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.21 -44.62 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.467 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.598 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 37.6 mt-10 -65.61 -29.26 69.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 20' ' ' ALA . 76.9 t -67.08 -63.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.677 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.4 mptt -54.88 -45.25 74.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.562 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.598 ' HE ' ' HA ' ' A' ' 23' ' ' GLU . 16.0 ptt180 -60.96 -36.43 79.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.62 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.87 -31.46 68.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.3 mt -82.64 -25.19 33.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.9 -57.27 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.338 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -50.82 -50.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.545 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.05 38.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.224 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 60.61 -84.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -148.23 -5.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.265 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.83 127.46 31.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.476 HG23 HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.09 -31.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.276 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.65 -53.06 59.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.72 -41.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.183 0.516 . . . . 0.0 109.998 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.53 -28.92 69.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.196 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -73.65 -39.76 64.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.304 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -60.2 -37.38 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.043 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.1 mt -82.83 -30.7 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.831 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.3 tm? -64.2 -36.63 84.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -53.88 -66.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.249 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -124.55 -73.41 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -164.58 -21.89 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.139 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.5 tp -110.55 -59.53 1.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.55 138.95 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -124.85 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -53.43 -35.88 25.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.254 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.9 -42.91 85.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.93 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.562 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.8 mmpt? -72.28 -42.17 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 109.842 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.623 HD13 ' HE2' ' A' ' 25' ' ' LYS . 56.7 mt -58.89 -58.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.25 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.97 66.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 27.7 tptp -54.67 -34.59 62.46 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.431 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.609 HD22 HG13 ' A' ' 24' ' ' VAL . 6.6 mp -84.03 -28.78 27.42 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.307 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.4 mtp -63.66 -21.51 66.42 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.83 -53.77 16.6 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.628 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.161 0.505 . . . . 0.0 110.265 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.14 85.51 0.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.962 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.527 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.6 m-85 -145.73 179.97 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.554 0.216 . . . . 0.0 110.552 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.17 146.32 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.646 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.492 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.0 p90 -76.31 -35.85 58.6 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.38 -41.12 96.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.551 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 41.3 mt-10 -67.05 -33.09 74.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.491 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.609 HG13 HD22 ' A' ' 14' ' ' LEU . 81.7 t -68.51 -64.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.742 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.29 -46.76 69.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.2 ptt180 -61.56 -38.29 86.95 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.676 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.72 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -74.95 -52.54 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.515 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.365 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.18 -43.89 82.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.443 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.36 22.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.525 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.83 52.22 8.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.312 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 m120 58.11 56.14 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -128.18 126.85 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -81.83 -49.28 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.28 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 37' ' ' VAL . 5.6 pt-20 -47.89 -56.82 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.449 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 33.8 t -58.88 -52.27 62.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.971 0.415 . . . . 0.0 110.726 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.24 -19.72 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.628 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 35' ' ' VAL . 5.2 ttp180 -80.42 -31.72 37.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -72.45 -37.08 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.11 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 38' ' ' ALA . 18.1 tt -82.33 -25.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.989 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? -59.34 -37.33 77.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.491 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -89.66 -55.61 3.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.219 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.64 -53.89 48.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 t80 65.41 135.36 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.309 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.173 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.737 0.303 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mp 58.53 -85.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.386 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.12 140.08 46.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -74.34 114.12 12.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -58.8 -31.78 45.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.725 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.12 -34.81 78.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.75 90.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.284 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.9 mmpt? -66.63 -49.09 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.024 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.67 HD13 ' HE2' ' A' ' 25' ' ' LYS . 75.1 mt -56.04 -58.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.466 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.15 -34.99 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.911 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.7 tptt -56.21 -35.51 67.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.425 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.73 HD22 HG13 ' A' ' 24' ' ' VAL . 7.8 mp -84.2 -26.03 29.06 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.95 -24.41 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.202 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -53.79 16.9 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.647 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -57.33 -38.28 73.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.328 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.16 78.45 1.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.063 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -140.92 176.55 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.501 0.191 . . . . 0.0 110.595 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -53.52 135.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 30.3 p90 -72.49 -32.71 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.98 -46.01 92.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.243 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 40.1 mt-10 -64.87 -29.27 70.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.73 HG13 HD22 ' A' ' 14' ' ' LEU . 82.3 t -67.6 -65.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.67 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -51.04 -46.64 61.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.559 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.9 ptp180 -59.96 -38.46 82.53 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.217 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -67.43 -36.05 80.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.104 0.478 . . . . 0.0 110.826 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.93 -65.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.95 -54.12 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.816 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.6 mt -55.4 -44.35 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.42 25.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.58 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 55.36 50.91 13.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.5 t30 57.25 59.02 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -124.27 132.03 53.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.737 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.29 -36.8 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.297 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.14 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.383 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.75 -43.06 72.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.083 0.468 . . . . 0.0 110.534 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.09 -36.78 80.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.523 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -64.05 -40.18 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.4 p -61.85 -47.41 85.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.335 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.4 pt -77.35 -11.96 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.273 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? -79.4 -47.14 16.24 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -92.06 -66.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.727 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.35 -70.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.675 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -55.71 -73.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.127 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.168 -179.847 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -100.88 -69.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -127.82 90.26 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -111.69 -44.78 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 11' ' ' ILE . 10.2 m -66.06 -42.29 91.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.362 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.65 -38.64 60.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.26 90.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.761 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 10.1 mmmm -68.98 -41.67 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 0.0 110.034 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.435 HD13 ' HD2' ' A' ' 25' ' ' LYS . 52.3 mt -58.07 -58.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.341 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.71 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.5 tptt -53.24 -34.45 57.22 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.606 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD22 HG13 ' A' ' 24' ' ' VAL . 6.5 mp -86.97 -27.57 23.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.583 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -62.9 -22.84 67.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.41 -56.43 7.17 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.048 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.74 -42.89 89.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.858 0.361 . . . . 0.0 110.629 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.13 87.74 1.84 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.824 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-85 -149.94 179.94 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.651 0.262 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -55.14 139.96 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -71.83 -29.95 64.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.237 0.541 . . . . 0.0 109.652 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.94 -42.39 99.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.28 -27.39 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 20' ' ' ALA . 96.7 t -68.88 -57.16 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.981 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -70.58 -33.02 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.66 -178.838 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -68.48 -34.23 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.35 -35.16 63.56 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.718 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.61 -33.2 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.738 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.11 -52.43 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.095 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.43 -48.09 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.269 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.6 32.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.449 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.36 -76.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -164.4 19.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -85.77 113.7 22.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -36.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.78 -58.49 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.66 -42.57 92.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.28 -28.7 69.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.325 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -76.4 -33.39 58.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.316 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.2 m -64.19 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.993 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 tt -88.26 -23.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.893 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? -55.9 -36.11 67.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -76.43 -31.53 57.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.31 -73.41 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -65.66 141.6 58.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.058 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 4' ' ' LEU . 6.7 mp -104.66 -58.22 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 8' ' ' ASP . 11.5 pt-20 -60.46 144.4 51.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -129.8 -54.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.7 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.8 -32.84 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.956 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.469 ' HB3' ' HB2' ' A' ' 5' ' ' GLU . 19.3 t70 -58.97 -39.64 82.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.0 65.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.762 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -69.91 -44.19 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.169 0.509 . . . . 0.0 109.945 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' HE2' ' A' ' 25' ' ' LYS . 55.3 mt -56.76 -58.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.286 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.554 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -55.26 -37.38 67.17 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 23.8 tptp -54.27 -33.16 57.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.55 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.655 HD22 HG13 ' A' ' 24' ' ' VAL . 6.8 mp -85.45 -30.12 23.78 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.404 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.554 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 8.9 mmm -60.45 -25.62 66.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.463 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.03 -55.8 7.24 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.195 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -58.48 -38.61 77.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.988 0.423 . . . . 0.0 110.62 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.79 92.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.727 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.444 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -151.62 -174.48 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.726 0.298 . . . . 0.0 110.657 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -57.45 145.0 34.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.48 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 95.7 m-85 -74.55 -37.52 62.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 109.898 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.48 -38.62 91.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.513 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.76 -29.92 68.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.655 HG13 HD22 ' A' ' 14' ' ' LEU . 52.2 t -69.23 -65.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.487 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.34 -43.32 78.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.492 -179.31 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 30' ' ' ILE . 10.1 ptm180 -63.14 -37.21 86.31 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.55 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.41 71.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.16 0.505 . . . . 0.0 110.289 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -71.32 -33.76 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.046 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.14 -37.05 54.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.411 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 26' ' ' ARG . 75.3 mt -55.66 -63.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.295 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.05 45.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 64.3 -77.38 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -161.46 14.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 110.684 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.88 111.92 14.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -33.61 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.24 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.22 -60.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.153 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.92 -47.24 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.555 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -56.65 -30.83 63.78 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.34 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -74.19 -34.85 63.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.508 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -59.48 -45.95 90.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.126 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 41' ' ' ILE . 3.3 mp -77.44 -29.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.269 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.8 tm? -55.73 -39.99 71.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.59 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 7.7 tpm_? -69.19 -68.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -125.89 -80.7 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.612 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -174.1 -75.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.627 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.263 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.588 0.232 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 4' ' ' LEU . 7.1 mp 55.95 -159.36 0.21 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' H ' ' HB3' ' A' ' 4' ' ' LEU . 11.4 pt-20 -53.89 -27.32 29.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.56 91.8 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.956 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.24 -34.97 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.304 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.0 -45.46 82.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.701 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.9 -35.49 64.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 110.415 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.8 mmpt? -71.19 -41.06 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.746 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.606 HD13 ' HE3' ' A' ' 25' ' ' LYS . 68.9 mt -61.74 -57.38 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.331 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.5 60.74 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.9 tptt -54.19 -38.26 65.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.239 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD12 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -79.03 -27.36 43.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.45 178.853 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mmm -69.92 -18.82 63.4 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.643 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.13 -57.12 5.7 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.308 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -59.84 -36.71 77.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.753 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.64 99.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.839 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -155.84 -178.42 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.592 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -55.6 145.92 22.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.452 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 45.1 p90 -76.34 -27.56 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.22 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.7 -44.21 78.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.568 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 36.7 mt-10 -67.31 -28.24 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.612 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 14' ' ' LEU . 70.8 t -72.53 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.6 mptt -55.87 -36.16 67.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.614 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.6 ptt180 -70.28 -38.64 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.346 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.45 -18.01 62.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.65 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 mt -86.2 -57.39 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.171 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.03 -44.18 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.44 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.7 -43.27 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.616 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 26.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 52.87 48.43 22.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.356 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 59.44 61.34 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -131.98 126.33 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.697 HG23 HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -90.21 -37.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.178 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.16 -57.67 11.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.467 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -60.84 -29.99 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.664 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -69.95 -49.96 46.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -57.38 -33.14 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.316 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.2 mt -86.33 -23.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.821 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.1 tm? -64.35 -40.36 95.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.674 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -90.63 -23.23 20.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.01 -37.1 73.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -75.24 80.53 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.755 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.065 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.428 ' HB3' ' HD2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.877 0.37 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 4' ' ' LEU . 7.0 mp -71.2 -61.8 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.2 161.92 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.3 m120 57.26 68.1 0.9 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.233 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -62.81 -30.57 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.979 0.419 . . . . 0.0 110.656 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.28 -35.49 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.383 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.26 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.356 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -68.73 -45.93 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.306 0.574 . . . . 0.0 109.819 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.581 HD13 ' HE3' ' A' ' 25' ' ' LYS . 60.9 mt -56.53 -58.15 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.218 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.16 -36.7 66.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.661 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.0 tptt -54.13 -33.97 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.25 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.618 HD22 HG13 ' A' ' 24' ' ' VAL . 5.9 mp -84.43 -29.62 25.98 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.385 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.5 mtt -59.87 -25.46 65.08 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.372 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -57.44 5.56 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.217 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.78 -39.34 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.654 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.93 83.16 1.35 Allowed Glycine 0 C--N 1.331 0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.681 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -142.2 -179.55 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -53.86 150.56 7.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.891 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.51 -31.75 47.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -44.09 89.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.763 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 40.6 mt-10 -65.19 -30.48 71.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.618 HG13 HD22 ' A' ' 14' ' ' LEU . 81.6 t -71.12 -67.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.861 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.2 mptt -55.11 -34.09 63.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.771 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 25.2 ptt180 -71.06 -38.31 72.5 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.444 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.499 ' HB1' ' HA ' ' A' ' 38' ' ' ALA . . . -70.61 -23.43 62.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.417 . . . . 0.0 110.524 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 mt -85.31 -37.4 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.979 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -69.96 -51.91 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.105 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.88 -45.67 79.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.21 30.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.377 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 65.09 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -155.0 25.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -95.98 126.15 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG13 ' OE2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -83.34 -28.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.861 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' OE2' HG13 ' A' ' 35' ' ' VAL . 2.9 mp0 -61.34 -59.43 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.51 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.29 -37.45 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.181 0.515 . . . . 0.0 109.683 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . . . -63.17 -36.08 82.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.112 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -68.05 -32.86 73.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.358 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 t -64.15 -45.56 87.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' A' ' 46' ' ' ALA . 46.9 mt -77.64 -27.22 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.655 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.0 tm? -64.61 -43.05 94.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.04 -67.12 0.42 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.631 ' HG3' ' H ' ' A' ' 45' ' ' PHE . 3.3 pt-20 -124.63 -80.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.631 ' H ' ' HG3' ' A' ' 44' ' ' GLU . 65.2 t80 -171.74 142.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' HB3' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.776 0.322 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.48 -170.96 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -84.2 89.34 7.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.015 0.436 . . . . 0.0 110.987 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -109.32 -153.69 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.659 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 11' ' ' ILE . 28.8 m -51.59 -30.64 11.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.66 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.12 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.71 58.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.967 0.413 . . . . 0.0 110.257 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -71.55 -41.63 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.766 179.021 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.64 HD13 ' HE3' ' A' ' 25' ' ' LYS . 66.8 mt -59.69 -59.02 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.264 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.28 57.71 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.764 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 28.0 tptp -53.9 -38.84 65.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.814 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.642 HD22 HG13 ' A' ' 24' ' ' VAL . 8.0 mp -84.24 -26.29 28.78 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.681 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' ILE . 98.0 mmm -64.03 -24.71 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.342 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.31 -56.69 10.23 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.972 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.38 -34.34 66.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.554 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.31 85.39 0.71 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.56 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.531 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.4 m-85 -144.88 -176.76 5.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.694 0.283 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.57 142.11 18.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.4 p90 -75.93 -31.67 59.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.1 -46.02 90.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.483 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.69 -38.15 89.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.454 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.642 HG13 HD22 ' A' ' 14' ' ' LEU . 96.4 t -65.2 -70.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.12 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.64 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.6 mptt -51.46 -43.77 62.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -63.16 -36.14 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.706 0.288 . . . . 0.0 110.877 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 38' ' ' ALA . . . -75.02 -21.37 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.142 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 mt -85.86 -43.91 12.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.343 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.87 -45.94 69.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.369 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.12 -46.46 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.93 27.86 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 64.1 -78.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.085 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.16 28.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.606 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -97.15 119.39 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.422 HG23 HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -84.49 -27.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.799 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.21 -53.81 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.475 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -63.53 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.21 0.529 . . . . 0.0 109.876 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.23 -27.46 69.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -74.16 -42.09 60.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.1 p -59.81 -43.65 94.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.375 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tp -74.99 -26.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -67.82 -31.28 71.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -58.72 -69.07 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.432 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -126.1 -77.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -163.93 12.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.383 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.988 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.757 0.313 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.3 mm? -94.36 -60.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -117.07 137.2 52.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -110.27 -176.47 3.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 m -62.29 -36.08 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.68 -41.37 73.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.055 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.4 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 10.7 mmmm -70.38 -40.35 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.111 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.631 HD13 ' HE2' ' A' ' 25' ' ' LYS . 57.4 mt -60.57 -58.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.201 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.59 65.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 51.4 tptt -55.2 -35.41 64.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.547 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD22 HG13 ' A' ' 24' ' ' VAL . 1.9 mp -83.08 -30.67 27.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.0 mtp -64.69 -20.2 66.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.556 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.76 -54.33 9.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.934 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.33 -38.72 87.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.58 95.21 1.64 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.941 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.526 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.1 m-85 -155.77 -176.47 5.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.728 0.299 . . . . 0.0 110.761 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.83 154.5 9.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 92.7 m-85 -82.45 -39.84 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.129 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.56 -38.79 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.837 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.71 -33.03 73.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.36 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG13 HD22 ' A' ' 14' ' ' LEU . 75.6 t -69.04 -66.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.611 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.631 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -53.54 -42.81 67.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.389 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -63.03 -38.62 91.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.14 69.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.621 HD21 HD13 ' A' ' 14' ' ' LEU . 45.8 mt -70.69 -47.31 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.247 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.36 -44.58 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.325 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -52.67 -60.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.226 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.79 39.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.198 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 62.7 -85.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -151.97 27.35 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.528 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -90.7 124.79 35.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -28.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.816 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.29 -56.01 25.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.16 -47.02 93.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.362 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -56.1 -40.37 73.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.103 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.3 mtp180 -68.9 -34.03 74.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.474 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -59.61 -37.46 78.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 pt -96.56 -12.54 8.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.0 tm? -66.01 -52.07 52.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -83.93 -27.23 28.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.379 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.51 18.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.363 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -84.05 93.89 8.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.724 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.116 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.561 0.219 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt 61.67 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -95.91 108.47 20.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.969 0.414 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -143.76 -59.67 0.4 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 m -73.5 -28.4 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.379 . . . . 0.0 110.979 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.78 -39.29 88.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.76 68.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.754 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -69.63 -45.56 68.21 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' HE2' ' A' ' 25' ' ' LYS . 65.9 mt -57.06 -58.78 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.386 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.44 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.735 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 24.8 tptt -53.55 -34.8 59.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.588 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 24' ' ' VAL . 6.6 mp -85.52 -28.6 24.84 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.405 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.7 mmt -62.49 -23.47 66.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.91 -56.24 9.01 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.946 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.17 -35.98 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.962 0.411 . . . . 0.0 110.632 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.15 100.86 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.688 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.612 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -155.85 -171.2 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.624 0.25 . . . . 0.0 110.688 179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -176.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -101.89 -53.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.826 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.91 -34.92 63.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 39.5 mt-10 -70.95 -37.81 72.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.596 HG13 HD22 ' A' ' 14' ' ' LEU . 63.2 t -69.46 -59.16 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.386 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.1 mptm? -55.45 -46.34 76.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.295 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 26.3 ptt180 -60.72 -36.41 78.79 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.42 -24.7 63.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.318 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.75 -30.32 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.891 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.06 -50.31 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.96 -41.92 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.161 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.88 8.51 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 69.07 -72.97 0.09 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -157.29 19.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.83 120.4 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.45 HG13 ' OE2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.89 -27.67 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' OE2' HG13 ' A' ' 35' ' ' VAL . 3.5 mp0 -57.4 -52.61 64.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.2 -41.68 90.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 110.25 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.03 -31.87 73.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.54 -39.58 81.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.1 m -62.94 -39.12 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.226 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.26 -27.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -73.18 -33.52 65.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.802 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -83.74 -33.33 25.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.256 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.09 19.35 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.171 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 59.88 -174.36 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.01 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.024 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.3 tp 61.0 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.102 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.92 164.0 23.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.781 0.324 . . . . 0.0 110.656 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -77.16 73.37 3.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m -59.6 -33.54 52.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.229 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.31 -42.07 69.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -36.66 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.408 . . . . 0.0 110.437 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 26.5 mmmt -71.44 -39.66 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.755 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.565 HG21 ' HE3' ' A' ' 25' ' ' LYS . 52.6 mt -60.74 -57.34 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.808 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.23 -37.06 64.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.3 tptt -54.45 -36.9 64.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.426 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.586 HD22 HG13 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -81.12 -32.29 33.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.243 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -65.1 -18.17 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 -53.67 12.81 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.768 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -60.57 -52.77 63.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.071 0.463 . . . . 0.0 110.505 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.03 100.19 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.543 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -156.0 -174.97 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -54.41 139.4 37.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.669 0.271 . . . . 0.0 110.474 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.474 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 72.2 m-85 -73.59 -37.96 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.158 0.504 . . . . 0.0 109.863 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 1.7 tm-20 -63.35 -42.83 98.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 40.4 mt-10 -67.23 -35.36 79.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.863 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.586 HG13 HD22 ' A' ' 14' ' ' LEU . 51.1 t -64.34 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HE3' HG21 ' A' ' 11' ' ' ILE . 14.0 mptt -55.75 -47.49 76.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.561 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 4.2 ptp180 -60.7 -32.19 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.15 -25.45 60.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.502 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD21 HD13 ' A' ' 14' ' ' LEU . 34.8 mt -81.21 -46.34 14.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.361 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.1 -56.13 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.449 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.31 -41.5 71.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.869 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 15.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 58.18 49.41 11.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.903 0.382 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 57.63 58.19 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -129.91 101.91 6.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.456 HG23 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.71 -30.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.295 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.59 -62.55 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.335 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -55.64 -46.94 79.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.644 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -57.67 -39.3 76.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -68.98 -33.87 74.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.587 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -57.67 -46.17 84.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.063 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -81.79 -23.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.632 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -67.96 -29.49 68.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.415 179.729 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -88.03 -25.03 23.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.729 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.24 -28.63 65.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -126.74 124.28 39.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.274 -0.87 . . . . 0.0 111.049 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.734 0.302 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -126.56 -75.25 0.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -99.24 135.55 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -144.0 -167.32 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 m -57.53 -39.0 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.295 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.62 -46.29 77.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.79 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.12 63.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.463 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 11.7 mmmm -69.46 -38.52 77.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.755 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.558 HD13 ' HE2' ' A' ' 25' ' ' LYS . 57.2 mt -62.69 -57.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -52.39 -38.69 59.56 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 46.0 tptt -53.2 -40.34 64.37 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.136 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -76.48 -30.26 57.19 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.555 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.487 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -66.65 -18.54 65.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.654 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.59 -54.89 4.75 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.168 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.586 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.15 84.98 1.5 Allowed Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.621 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -142.08 -179.56 6.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.644 0.259 . . . . 0.0 111.292 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.4 153.07 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.5 p90 -79.87 -32.05 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.87 -45.41 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.99 -33.32 75.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.474 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 14' ' ' LEU . 74.8 t -68.79 -68.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.999 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.93 -38.8 65.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.9 -36.42 80.18 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.553 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.01 -30.19 66.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.925 0.393 . . . . 0.0 110.621 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 mt -75.73 -39.12 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.759 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.5 -51.21 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.965 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.89 -49.04 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.81 29.97 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.263 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 64.76 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -151.09 24.57 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.749 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.14 126.4 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.36 -41.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.786 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -54.06 -53.24 55.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.86 -44.41 98.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 110.111 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.475 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -71.77 -39.68 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -59.5 -44.43 93.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.279 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 pt -79.02 -27.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? -59.08 -35.93 74.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.721 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -86.98 -55.16 3.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.79 -74.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.096 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -72.63 98.54 2.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.099 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.748 0.309 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -100.18 5.48 44.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 58.28 79.82 0.2 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.198 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 t -59.57 -36.08 62.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.37 -43.02 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.613 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.356 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 20.2 mmmt -71.4 -39.55 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.415 0.626 . . . . 0.0 109.485 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.551 HG21 ' HE2' ' A' ' 25' ' ' LYS . 37.1 mt -60.53 -58.36 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.289 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -35.62 63.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 tptt -55.38 -36.63 66.58 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.517 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD22 HG13 ' A' ' 24' ' ' VAL . 5.5 mp -85.71 -28.41 24.67 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.585 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -65.72 -20.01 66.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.234 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.91 -55.93 13.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.854 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.65 -36.57 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 87.73 0.9 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.425 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -147.39 -178.8 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.559 0.219 . . . . 0.0 110.9 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -46.3 128.91 10.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 97.1 m-85 -71.17 -34.19 70.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.116 0.484 . . . . 0.0 109.874 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.78 -42.08 95.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.488 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.6 -28.86 68.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 20' ' ' ALA . 79.1 t -72.23 -64.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.505 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 11' ' ' ILE . 1.3 mptm? -52.16 -43.13 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.347 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -65.58 -39.43 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.57 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -16.78 62.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 11' ' ' ILE . 68.9 mt -89.33 -53.7 4.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.215 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.08 -53.98 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.17 -45.59 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.373 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 56.92 -92.94 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.89 4.62 0.41 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.775 0.321 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -62.36 121.63 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.418 HG21 ' HE3' ' A' ' 10' ' ' LYS . 73.3 t -85.67 -37.31 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -56.82 -50.12 73.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.758 0.314 . . . . 0.0 110.701 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.7 -41.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.063 0.459 . . . . 0.0 110.277 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.52 -26.04 68.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -76.62 -39.66 51.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.7 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.6 p -62.82 -36.42 83.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.161 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.95 -37.68 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.81 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.7 tm? -62.13 -38.01 87.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.513 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -71.78 -29.3 64.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.104 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.24 9.39 31.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.02 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 62.04 -83.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.204 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? -92.39 -67.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -99.58 124.04 44.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -142.73 -38.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' ILE . 24.9 m -61.37 -34.19 60.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -57.5 -45.89 84.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.04 -35.74 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.96 0.409 . . . . 0.0 110.202 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.2 mmpt? -69.47 -42.8 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.316 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 7' ' ' VAL . 66.1 mt -58.1 -57.94 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.335 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -53.26 -39.71 64.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.746 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 13.7 tptm -53.25 -36.3 60.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.629 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 HG13 ' A' ' 24' ' ' VAL . 7.4 mp -88.53 -21.97 23.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.704 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.437 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 90.4 mmm -66.32 -23.94 66.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.37 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.81 -56.14 7.74 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.916 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -35.28 68.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 110.47 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.17 91.92 0.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.689 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.54 -175.93 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.824 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -57.62 142.5 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -74.54 -33.33 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 109.977 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.0 -38.96 89.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.26 -25.75 65.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.015 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.677 HG13 HD22 ' A' ' 14' ' ' LEU . 63.7 t -74.44 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.756 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -68.85 -28.25 66.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.346 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -76.74 -36.52 57.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -25.32 62.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.28 -52.43 8.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.045 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.22 -51.66 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.26 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -55.0 -42.04 62.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 23.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.739 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 57.61 46.72 17.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 59.21 59.48 2.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -136.14 126.57 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.745 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG23 HD11 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -79.63 -28.42 12.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.16 -64.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.775 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -57.77 -36.78 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.916 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -65.23 -29.85 70.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.265 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.53 -32.7 64.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.494 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 tt -81.8 -31.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.348 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -69.68 -44.6 70.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.765 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -71.64 -57.52 4.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -62.74 -81.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.255 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -171.41 150.35 2.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.017 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.749 0.309 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -55.81 -36.43 67.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.064 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.57 92.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.9 mmpt? -69.2 -49.47 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.927 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' HE2' ' A' ' 25' ' ' LYS . 68.1 mt -55.04 -56.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.246 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.2 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.741 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.7 tptt -56.36 -32.95 65.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.557 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.678 HD22 HG13 ' A' ' 24' ' ' VAL . 8.4 mp -89.55 -23.45 22.01 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.329 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.57 -28.6 69.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.436 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.52 -56.26 9.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.072 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -57.7 -37.26 73.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.615 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.78 97.19 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.913 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -155.78 -177.46 6.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.543 0.211 . . . . 0.0 110.622 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -54.36 154.84 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.905 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.71 -44.87 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.086 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -58.19 -40.78 82.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 39.8 mt-10 -66.38 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.558 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.678 HG13 HD22 ' A' ' 14' ' ' LEU . 53.0 t -69.04 -63.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.879 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -52.56 -46.16 66.71 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.468 -179.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 28.4 ptt180 -63.89 -36.87 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -18.58 62.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.38 . . . . 0.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.94 -54.73 4.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.252 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -62.97 -52.63 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.629 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -56.26 -42.12 72.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.12 14.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 63.36 52.74 2.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.885 0.374 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 57.36 33.84 23.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.489 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -106.31 122.16 45.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG23 HD11 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -83.75 -34.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.074 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.06 -52.69 63.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.464 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.89 -46.3 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -55.68 -43.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.238 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.27 -36.08 80.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.64 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.451 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.1 pt -93.31 -10.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.225 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.438 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 11' ' ' ILE . 25.1 m . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.767 0.318 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.68 -37.23 63.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.53 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -66.66 -37.22 84.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' HE3' ' A' ' 25' ' ' LYS . 54.7 mt -58.59 -57.43 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -58.48 -36.74 74.21 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 20.4 tptm -55.82 -28.77 57.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 24' ' ' VAL . 4.6 mp -89.52 -29.36 19.0 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.876 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.509 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -62.72 -22.67 66.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.286 179.654 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.1 -55.77 8.36 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.959 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.64 -33.71 66.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.996 0.427 . . . . 0.0 110.503 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.17 89.49 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.896 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.54 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -149.69 -175.45 5.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.531 0.205 . . . . 0.0 110.689 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.38 134.69 53.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.52 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -69.84 -29.75 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.143 0.497 . . . . 0.0 109.779 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.21 -44.62 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.467 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.598 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 37.6 mt-10 -65.61 -29.26 69.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 20' ' ' ALA . 76.9 t -67.08 -63.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.677 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.4 mptt -54.88 -45.25 74.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.562 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.598 ' HE ' ' HA ' ' A' ' 23' ' ' GLU . 16.0 ptt180 -60.96 -36.43 79.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.62 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.87 -31.46 68.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.3 mt -82.64 -25.19 33.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.9 -57.27 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.338 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -50.82 -50.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.545 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.05 38.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.224 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 60.61 -84.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -148.23 -5.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.265 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.83 127.46 31.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.476 HG23 HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.09 -31.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.276 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.65 -53.06 59.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.72 -41.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.183 0.516 . . . . 0.0 109.998 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.53 -28.92 69.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.196 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -73.65 -39.76 64.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.304 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -60.2 -37.38 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.043 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.1 mt -82.83 -30.7 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.831 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.3 tm? . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.691 0.281 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.9 -42.91 85.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.93 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.562 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.8 mmpt? -72.28 -42.17 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 109.842 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.623 HD13 ' HE2' ' A' ' 25' ' ' LYS . 56.7 mt -58.89 -58.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.25 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.97 66.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 27.7 tptp -54.67 -34.59 62.46 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.431 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.609 HD22 HG13 ' A' ' 24' ' ' VAL . 6.6 mp -84.03 -28.78 27.42 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.307 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.4 mtp -63.66 -21.51 66.42 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.83 -53.77 16.6 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.628 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.161 0.505 . . . . 0.0 110.265 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.14 85.51 0.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.962 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.527 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.6 m-85 -145.73 179.97 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.554 0.216 . . . . 0.0 110.552 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.17 146.32 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.646 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.492 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.0 p90 -76.31 -35.85 58.6 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.38 -41.12 96.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.551 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 41.3 mt-10 -67.05 -33.09 74.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.491 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.609 HG13 HD22 ' A' ' 14' ' ' LEU . 81.7 t -68.51 -64.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.742 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.29 -46.76 69.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.2 ptt180 -61.56 -38.29 86.95 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.676 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.72 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -74.95 -52.54 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.515 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.365 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.18 -43.89 82.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.443 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.36 22.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.525 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.83 52.22 8.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.312 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 m120 58.11 56.14 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -128.18 126.85 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -81.83 -49.28 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.28 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 37' ' ' VAL . 5.6 pt-20 -47.89 -56.82 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.449 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 33.8 t -58.88 -52.27 62.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.971 0.415 . . . . 0.0 110.726 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.24 -19.72 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.628 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 35' ' ' VAL . 5.2 ttp180 -80.42 -31.72 37.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -72.45 -37.08 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.11 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 38' ' ' ALA . 18.1 tt -82.33 -25.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.989 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.491 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.849 0.357 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.12 -34.81 78.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.75 90.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.284 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.9 mmpt? -66.63 -49.09 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.024 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.67 HD13 ' HE2' ' A' ' 25' ' ' LYS . 75.1 mt -56.04 -58.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.466 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.15 -34.99 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.911 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.7 tptt -56.21 -35.51 67.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.425 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.73 HD22 HG13 ' A' ' 24' ' ' VAL . 7.8 mp -84.2 -26.03 29.06 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.95 -24.41 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.202 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -53.79 16.9 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.647 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -57.33 -38.28 73.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.328 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.16 78.45 1.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.063 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -140.92 176.55 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.501 0.191 . . . . 0.0 110.595 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -53.52 135.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 30.3 p90 -72.49 -32.71 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.98 -46.01 92.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.243 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 40.1 mt-10 -64.87 -29.27 70.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.73 HG13 HD22 ' A' ' 14' ' ' LEU . 82.3 t -67.6 -65.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.67 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -51.04 -46.64 61.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.559 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.9 ptp180 -59.96 -38.46 82.53 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.217 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -67.43 -36.05 80.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.104 0.478 . . . . 0.0 110.826 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.93 -65.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.95 -54.12 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.816 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.6 mt -55.4 -44.35 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.42 25.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.58 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 55.36 50.91 13.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.25 59.02 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.45 HD22 ' HA ' ' A' ' 34' ' ' ASN . 6.1 m120 -124.27 132.03 53.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.737 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.29 -36.8 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.297 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.14 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.383 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.75 -43.06 72.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.083 0.468 . . . . 0.0 110.534 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.09 -36.78 80.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.523 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -64.05 -40.18 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.4 p -61.85 -47.41 85.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.335 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.4 pt -77.35 -11.96 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.273 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 11' ' ' ILE . 10.2 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.598 0.237 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.65 -38.64 60.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.26 90.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.761 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 10.1 mmmm -68.98 -41.67 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 0.0 110.034 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.435 HD13 ' HD2' ' A' ' 25' ' ' LYS . 52.3 mt -58.07 -58.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.341 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.71 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.5 tptt -53.24 -34.45 57.22 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.606 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD22 HG13 ' A' ' 24' ' ' VAL . 6.5 mp -86.97 -27.57 23.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.583 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -62.9 -22.84 67.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.41 -56.43 7.17 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.048 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.74 -42.89 89.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.858 0.361 . . . . 0.0 110.629 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.13 87.74 1.84 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.824 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.414 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-85 -149.94 179.94 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.651 0.262 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -55.14 139.96 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -71.83 -29.95 64.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.237 0.541 . . . . 0.0 109.652 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.94 -42.39 99.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.28 -27.39 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 20' ' ' ALA . 96.7 t -68.88 -57.16 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.981 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -70.58 -33.02 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.66 -178.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -68.48 -34.23 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.35 -35.16 63.56 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.718 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.61 -33.2 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.738 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.11 -52.43 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.095 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.43 -48.09 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.269 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.6 32.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.449 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.36 -76.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -164.4 19.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.77 113.7 22.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -36.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.78 -58.49 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.66 -42.57 92.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.28 -28.7 69.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.325 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -76.4 -33.39 58.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.316 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.2 m -64.19 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.993 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 tt -88.26 -23.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.893 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? . . . . . 0 C--N 1.333 -0.136 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.865 0.364 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.97 -39.64 82.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.0 65.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.762 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -69.91 -44.19 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.169 0.509 . . . . 0.0 109.945 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' HE2' ' A' ' 25' ' ' LYS . 55.3 mt -56.76 -58.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.286 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.554 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -55.26 -37.38 67.17 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 23.8 tptp -54.27 -33.16 57.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.55 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.655 HD22 HG13 ' A' ' 24' ' ' VAL . 6.8 mp -85.45 -30.12 23.78 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.404 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.554 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 8.9 mmm -60.45 -25.62 66.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.463 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.03 -55.8 7.24 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.195 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -58.48 -38.61 77.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.988 0.423 . . . . 0.0 110.62 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.79 92.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.727 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.444 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -151.62 -174.48 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.726 0.298 . . . . 0.0 110.657 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -57.45 145.0 34.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.48 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 95.7 m-85 -74.55 -37.52 62.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 109.898 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.48 -38.62 91.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.513 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.76 -29.92 68.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.655 HG13 HD22 ' A' ' 14' ' ' LEU . 52.2 t -69.23 -65.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.487 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.34 -43.32 78.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.492 -179.31 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 30' ' ' ILE . 10.1 ptm180 -63.14 -37.21 86.31 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.55 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.41 71.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.16 0.505 . . . . 0.0 110.289 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -71.32 -33.76 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.046 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.14 -37.05 54.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.411 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 26' ' ' ARG . 75.3 mt -55.66 -63.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.295 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.05 45.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 64.3 -77.38 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -161.46 14.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 110.684 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.88 111.92 14.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -33.61 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.24 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.22 -60.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.153 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.92 -47.24 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.555 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -56.65 -30.83 63.78 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.34 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -74.19 -34.85 63.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.508 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -59.48 -45.95 90.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.126 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 41' ' ' ILE . 3.3 mp -77.44 -29.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.269 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.8 tm? . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.59 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.613 0.244 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.0 -45.46 82.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.701 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.9 -35.49 64.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 110.415 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.8 mmpt? -71.19 -41.06 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.746 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.606 HD13 ' HE3' ' A' ' 25' ' ' LYS . 68.9 mt -61.74 -57.38 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.331 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.5 60.74 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.9 tptt -54.19 -38.26 65.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.239 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.697 HD12 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -79.03 -27.36 43.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.45 178.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mmm -69.92 -18.82 63.4 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.643 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.13 -57.12 5.7 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.308 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -59.84 -36.71 77.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.753 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.64 99.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.839 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.47 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -155.84 -178.42 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.592 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -55.6 145.92 22.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.452 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 45.1 p90 -76.34 -27.56 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.22 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.7 -44.21 78.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.568 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 36.7 mt-10 -67.31 -28.24 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.612 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 14' ' ' LEU . 70.8 t -72.53 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.6 mptt -55.87 -36.16 67.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.614 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.6 ptt180 -70.28 -38.64 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.346 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.45 -18.01 62.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.65 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 mt -86.2 -57.39 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.171 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.03 -44.18 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.44 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.7 -43.27 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.616 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 26.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 52.87 48.43 22.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.356 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 59.44 61.34 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -131.98 126.33 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.697 HG23 HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -90.21 -37.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.178 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.16 -57.67 11.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.467 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -60.84 -29.99 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.664 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -69.95 -49.96 46.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -57.38 -33.14 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.316 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.2 mt -86.33 -23.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.821 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.1 tm? . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.674 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.979 0.419 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.28 -35.49 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.383 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.26 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.356 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -68.73 -45.93 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.306 0.574 . . . . 0.0 109.819 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.581 HD13 ' HE3' ' A' ' 25' ' ' LYS . 60.9 mt -56.53 -58.15 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.218 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.16 -36.7 66.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.661 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.0 tptt -54.13 -33.97 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.25 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.618 HD22 HG13 ' A' ' 24' ' ' VAL . 5.9 mp -84.43 -29.62 25.98 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.385 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.5 mtt -59.87 -25.46 65.08 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.372 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -57.44 5.56 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.217 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.78 -39.34 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.654 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.93 83.16 1.35 Allowed Glycine 0 C--N 1.331 0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.681 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -142.2 -179.55 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -53.86 150.56 7.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.891 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.51 -31.75 47.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -44.09 89.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.763 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 40.6 mt-10 -65.19 -30.48 71.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.618 HG13 HD22 ' A' ' 14' ' ' LEU . 81.6 t -71.12 -67.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.861 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.2 mptt -55.11 -34.09 63.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.771 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 25.2 ptt180 -71.06 -38.31 72.5 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.444 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.499 ' HB1' ' HA ' ' A' ' 38' ' ' ALA . . . -70.61 -23.43 62.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.417 . . . . 0.0 110.524 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 mt -85.31 -37.4 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.979 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -69.96 -51.91 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.105 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.88 -45.67 79.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.21 30.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.377 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 65.09 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.45 ' C ' HD22 ' A' ' 33' ' ' ASN . 0.3 OUTLIER -155.0 25.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -95.98 126.15 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG13 ' OE2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -83.34 -28.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.861 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' OE2' HG13 ' A' ' 35' ' ' VAL . 2.9 mp0 -61.34 -59.43 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.51 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.29 -37.45 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.181 0.515 . . . . 0.0 109.683 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . . . -63.17 -36.08 82.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.112 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -68.05 -32.86 73.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.358 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 t -64.15 -45.56 87.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.9 mt -77.64 -27.22 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.655 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.0 tm? . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 11' ' ' ILE . 28.8 m . . . . . 0 C--O 1.228 -0.057 0 CA-C-O 120.616 0.246 . . . . 0.0 111.66 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.12 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.71 58.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.967 0.413 . . . . 0.0 110.257 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -71.55 -41.63 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.766 179.021 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.64 HD13 ' HE3' ' A' ' 25' ' ' LYS . 66.8 mt -59.69 -59.02 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.264 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.28 57.71 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.764 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 28.0 tptp -53.9 -38.84 65.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.814 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.642 HD22 HG13 ' A' ' 24' ' ' VAL . 8.0 mp -84.24 -26.29 28.78 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.681 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' ILE . 98.0 mmm -64.03 -24.71 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.342 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.31 -56.69 10.23 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.972 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.38 -34.34 66.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.554 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.31 85.39 0.71 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.56 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.531 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.4 m-85 -144.88 -176.76 5.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.694 0.283 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.57 142.11 18.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.4 p90 -75.93 -31.67 59.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.1 -46.02 90.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.483 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.69 -38.15 89.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.454 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.642 HG13 HD22 ' A' ' 14' ' ' LEU . 96.4 t -65.2 -70.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.12 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.64 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.6 mptt -51.46 -43.77 62.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -63.16 -36.14 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.706 0.288 . . . . 0.0 110.877 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 38' ' ' ALA . . . -75.02 -21.37 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.142 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 mt -85.86 -43.91 12.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.343 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.87 -45.94 69.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.369 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.12 -46.46 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.93 27.86 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 64.1 -78.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.085 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.16 28.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.606 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -97.15 119.39 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.422 HG23 HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -84.49 -27.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.799 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.21 -53.81 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.475 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -63.53 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.21 0.529 . . . . 0.0 109.876 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.23 -27.46 69.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -74.16 -42.09 60.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.1 p -59.81 -43.65 94.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.375 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tp -74.99 -26.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.68 -41.37 73.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.055 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.4 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 10.7 mmmm -70.38 -40.35 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.111 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.631 HD13 ' HE2' ' A' ' 25' ' ' LYS . 57.4 mt -60.57 -58.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.201 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.59 65.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 51.4 tptt -55.2 -35.41 64.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.547 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD22 HG13 ' A' ' 24' ' ' VAL . 1.9 mp -83.08 -30.67 27.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.0 mtp -64.69 -20.2 66.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.556 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.76 -54.33 9.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.934 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.33 -38.72 87.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.58 95.21 1.64 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.941 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.526 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.1 m-85 -155.77 -176.47 5.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.728 0.299 . . . . 0.0 110.761 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.83 154.5 9.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.411 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 92.7 m-85 -82.45 -39.84 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.129 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.56 -38.79 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.837 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.71 -33.03 73.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.36 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.627 HG13 HD22 ' A' ' 14' ' ' LEU . 75.6 t -69.04 -66.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.611 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.631 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -53.54 -42.81 67.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.389 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -63.03 -38.62 91.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.14 69.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.621 HD21 HD13 ' A' ' 14' ' ' LEU . 45.8 mt -70.69 -47.31 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.247 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.36 -44.58 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.325 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -52.67 -60.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.226 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.79 39.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.198 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 62.7 -85.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -151.97 27.35 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.528 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -90.7 124.79 35.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -28.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.816 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.29 -56.01 25.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.16 -47.02 93.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.362 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -56.1 -40.37 73.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.103 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.3 mtp180 -68.9 -34.03 74.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.474 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -59.61 -37.46 78.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 pt -96.56 -12.54 8.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.0 tm? . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.897 0.379 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.78 -39.29 88.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.76 68.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.754 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -69.63 -45.56 68.21 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' HE2' ' A' ' 25' ' ' LYS . 65.9 mt -57.06 -58.78 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.386 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.44 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.735 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 24.8 tptt -53.55 -34.8 59.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.588 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 24' ' ' VAL . 6.6 mp -85.52 -28.6 24.84 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.405 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.7 mmt -62.49 -23.47 66.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.91 -56.24 9.01 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.946 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.17 -35.98 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.962 0.411 . . . . 0.0 110.632 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.15 100.86 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.688 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.612 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -155.85 -171.2 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.624 0.25 . . . . 0.0 110.688 179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -176.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -101.89 -53.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.826 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.91 -34.92 63.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 39.5 mt-10 -70.95 -37.81 72.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.596 HG13 HD22 ' A' ' 14' ' ' LEU . 63.2 t -69.46 -59.16 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.386 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.1 mptm? -55.45 -46.34 76.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.295 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 26.3 ptt180 -60.72 -36.41 78.79 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.42 -24.7 63.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.318 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.75 -30.32 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.891 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.06 -50.31 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.96 -41.92 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.161 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.88 8.51 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 69.07 -72.97 0.09 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -157.29 19.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.83 120.4 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.45 HG13 ' OE2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.89 -27.67 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.45 ' OE2' HG13 ' A' ' 35' ' ' VAL . 3.5 mp0 -57.4 -52.61 64.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.2 -41.68 90.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 110.25 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.03 -31.87 73.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.54 -39.58 81.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.1 m -62.94 -39.12 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.226 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.26 -27.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.658 0.266 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.31 -42.07 69.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -36.66 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.408 . . . . 0.0 110.437 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 26.5 mmmt -71.44 -39.66 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.755 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.565 HG21 ' HE3' ' A' ' 25' ' ' LYS . 52.6 mt -60.74 -57.34 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.808 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.23 -37.06 64.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.3 tptt -54.45 -36.9 64.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.426 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.586 HD22 HG13 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -81.12 -32.29 33.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.243 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -65.1 -18.17 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 -53.67 12.81 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.768 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -60.57 -52.77 63.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.071 0.463 . . . . 0.0 110.505 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.03 100.19 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.543 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -156.0 -174.97 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -54.41 139.4 37.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.669 0.271 . . . . 0.0 110.474 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.474 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 72.2 m-85 -73.59 -37.96 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.158 0.504 . . . . 0.0 109.863 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 1.7 tm-20 -63.35 -42.83 98.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 40.4 mt-10 -67.23 -35.36 79.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.863 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.586 HG13 HD22 ' A' ' 14' ' ' LEU . 51.1 t -64.34 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HE3' HG21 ' A' ' 11' ' ' ILE . 14.0 mptt -55.75 -47.49 76.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.561 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 4.2 ptp180 -60.7 -32.19 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.15 -25.45 60.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.502 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD21 HD13 ' A' ' 14' ' ' LEU . 34.8 mt -81.21 -46.34 14.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.361 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.1 -56.13 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.449 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.31 -41.5 71.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.869 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 15.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 58.18 49.41 11.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.903 0.382 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 57.63 58.19 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -129.91 101.91 6.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.456 HG23 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.71 -30.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.295 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.59 -62.55 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.335 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -55.64 -46.94 79.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.644 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -57.67 -39.3 76.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -68.98 -33.87 74.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.587 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -57.67 -46.17 84.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.063 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -81.79 -23.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.632 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.415 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.667 0.27 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.62 -46.29 77.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.79 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.12 63.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.463 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 11.7 mmmm -69.46 -38.52 77.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.755 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.558 HD13 ' HE2' ' A' ' 25' ' ' LYS . 57.2 mt -62.69 -57.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -52.39 -38.69 59.56 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 46.0 tptt -53.2 -40.34 64.37 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.136 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -76.48 -30.26 57.19 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.555 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.487 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -66.65 -18.54 65.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.654 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.59 -54.89 4.75 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.168 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.586 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.15 84.98 1.5 Allowed Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.621 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -142.08 -179.56 6.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.644 0.259 . . . . 0.0 111.292 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.4 153.07 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.426 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.5 p90 -79.87 -32.05 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.87 -45.41 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.99 -33.32 75.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.474 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 14' ' ' LEU . 74.8 t -68.79 -68.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.999 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.93 -38.8 65.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.9 -36.42 80.18 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.553 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.01 -30.19 66.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.925 0.393 . . . . 0.0 110.621 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 mt -75.73 -39.12 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.759 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.5 -51.21 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.965 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.89 -49.04 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.81 29.97 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.263 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 64.76 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -151.09 24.57 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.749 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.14 126.4 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.36 -41.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.786 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -54.06 -53.24 55.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.86 -44.41 98.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 110.111 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.475 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -71.77 -39.68 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -59.5 -44.43 93.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.279 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 pt -79.02 -27.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.721 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.37 -43.02 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.613 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.356 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 20.2 mmmt -71.4 -39.55 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.415 0.626 . . . . 0.0 109.485 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.551 HG21 ' HE2' ' A' ' 25' ' ' LYS . 37.1 mt -60.53 -58.36 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.289 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -35.62 63.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 tptt -55.38 -36.63 66.58 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.517 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD22 HG13 ' A' ' 24' ' ' VAL . 5.5 mp -85.71 -28.41 24.67 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.585 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -65.72 -20.01 66.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.234 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.91 -55.93 13.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.854 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.65 -36.57 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 87.73 0.9 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.425 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -147.39 -178.8 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.559 0.219 . . . . 0.0 110.9 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -46.3 128.91 10.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.481 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 97.1 m-85 -71.17 -34.19 70.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.116 0.484 . . . . 0.0 109.874 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.78 -42.08 95.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.488 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.6 -28.86 68.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 20' ' ' ALA . 79.1 t -72.23 -64.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.505 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 11' ' ' ILE . 1.3 mptm? -52.16 -43.13 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.347 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -65.58 -39.43 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.57 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -16.78 62.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 11' ' ' ILE . 68.9 mt -89.33 -53.7 4.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.215 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.08 -53.98 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.17 -45.59 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.373 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 56.92 -92.94 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.89 4.62 0.41 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.775 0.321 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -62.36 121.63 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.418 HG21 ' HE3' ' A' ' 10' ' ' LYS . 73.3 t -85.67 -37.31 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -56.82 -50.12 73.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.758 0.314 . . . . 0.0 110.701 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.7 -41.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.063 0.459 . . . . 0.0 110.277 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.52 -26.04 68.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -76.62 -39.66 51.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.7 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.6 p -62.82 -36.42 83.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.161 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.95 -37.68 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.81 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.7 tm? . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.513 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' ILE . 24.9 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.673 0.273 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -57.5 -45.89 84.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.04 -35.74 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.96 0.409 . . . . 0.0 110.202 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.2 mmpt? -69.47 -42.8 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.316 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 7' ' ' VAL . 66.1 mt -58.1 -57.94 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.335 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -53.26 -39.71 64.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.746 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 13.7 tptm -53.25 -36.3 60.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.629 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 HG13 ' A' ' 24' ' ' VAL . 7.4 mp -88.53 -21.97 23.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.704 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.437 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 90.4 mmm -66.32 -23.94 66.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.37 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.81 -56.14 7.74 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.916 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -35.28 68.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 110.47 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.17 91.92 0.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.689 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.54 -175.93 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.824 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -57.62 142.5 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -74.54 -33.33 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 109.977 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.0 -38.96 89.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.26 -25.75 65.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.015 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.677 HG13 HD22 ' A' ' 14' ' ' LEU . 63.7 t -74.44 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.756 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -68.85 -28.25 66.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.346 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -76.74 -36.52 57.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -25.32 62.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.28 -52.43 8.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.045 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.22 -51.66 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.26 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -55.0 -42.04 62.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 23.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.739 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 57.61 46.72 17.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.4 m120 59.21 59.48 2.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -136.14 126.57 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.745 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.461 HG23 HD11 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -79.63 -28.42 12.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.16 -64.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.775 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -57.77 -36.78 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.916 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -65.23 -29.85 70.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.265 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.53 -32.7 64.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.494 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 tt -81.8 -31.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.348 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.765 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.863 0.364 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tt -149.84 -54.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.523 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 8' ' ' ASP . 12.7 pt-20 -85.37 145.73 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -117.91 -72.92 0.66 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.177 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.2 m -67.25 -30.8 50.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.608 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . 10.4 m-20 -55.81 -36.43 67.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.064 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.57 92.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.516 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.9 mmpt? -69.2 -49.47 56.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.927 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' HE2' ' A' ' 25' ' ' LYS . 68.1 mt -55.04 -56.29 11.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.246 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.21 -37.2 66.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.741 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.7 tptt -56.36 -32.95 65.23 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.557 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.678 HD22 HG13 ' A' ' 24' ' ' VAL . 8.4 mp -89.55 -23.45 22.01 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.329 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.57 -28.6 69.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.436 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.52 -56.26 9.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.072 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -57.7 -37.26 73.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 110.615 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.78 97.19 0.92 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.913 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -155.78 -177.46 6.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.543 0.211 . . . . 0.0 110.622 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.555 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -54.36 154.84 4.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.905 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -83.71 -44.87 14.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.086 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -58.19 -40.78 82.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.819 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 39.8 mt-10 -66.38 -34.95 79.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.558 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.678 HG13 HD22 ' A' ' 14' ' ' LEU . 53.0 t -69.04 -63.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.879 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -52.56 -46.16 66.71 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.468 -179.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 28.4 ptt180 -63.89 -36.87 85.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.702 0.287 . . . . 0.0 110.614 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.5 -18.58 62.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.38 . . . . 0.0 110.629 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -82.94 -54.73 4.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.252 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -62.97 -52.63 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.629 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.5 mt -56.26 -42.12 72.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.672 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.12 14.37 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 63.36 52.74 2.32 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.885 0.374 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 57.36 33.84 23.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.489 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -106.31 122.16 45.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG23 HD11 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -83.75 -34.73 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.074 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -61.06 -52.69 63.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.464 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.89 -46.3 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -55.68 -43.37 76.29 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.238 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -62.27 -36.08 80.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.64 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -61.62 -40.03 93.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.451 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.1 pt -93.31 -10.14 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.225 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -72.42 -35.0 68.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.438 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -90.62 -11.3 40.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.494 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -86.2 17.48 3.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.512 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.6 t80 63.5 -81.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.215 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.806 0.336 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mp -99.95 -172.83 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.96 174.16 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -159.14 -62.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 11' ' ' ILE . 25.1 m -78.37 -36.72 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -53.68 -37.23 63.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.06 -47.53 82.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -66.66 -37.22 84.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.476 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' HE3' ' A' ' 25' ' ' LYS . 54.7 mt -58.59 -57.43 11.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -58.48 -36.74 74.21 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 20.4 tptm -55.82 -28.77 57.93 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 178.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD22 HG13 ' A' ' 24' ' ' VAL . 4.6 mp -89.52 -29.36 19.0 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.876 178.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.509 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -62.72 -22.67 66.71 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.286 179.654 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.1 -55.77 8.36 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.959 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -56.64 -33.71 66.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.996 0.427 . . . . 0.0 110.503 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.17 89.49 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.896 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.54 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -149.69 -175.45 5.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.531 0.205 . . . . 0.0 110.689 179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.38 134.69 53.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.52 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -69.84 -29.75 67.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.143 0.497 . . . . 0.0 109.779 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.21 -44.62 87.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.467 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.598 ' HA ' ' HE ' ' A' ' 26' ' ' ARG . 37.6 mt-10 -65.61 -29.26 69.82 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 20' ' ' ALA . 76.9 t -67.08 -63.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.677 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.4 mptt -54.88 -45.25 74.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.562 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.598 ' HE ' ' HA ' ' A' ' 23' ' ' GLU . 16.0 ptt180 -60.96 -36.43 79.36 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.62 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -70.87 -31.46 68.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.765 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.3 mt -82.64 -25.19 33.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -78.9 -57.27 3.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.338 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.7 mt -50.82 -50.57 23.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.545 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.05 38.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.224 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 60.61 -84.11 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -148.23 -5.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.265 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.83 127.46 31.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.889 0.376 . . . . 0.0 110.83 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.476 HG23 HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.09 -31.14 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.276 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.65 -53.06 59.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.757 0.313 . . . . 0.0 110.586 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.72 -41.68 93.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.183 0.516 . . . . 0.0 109.998 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.53 -28.92 69.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.196 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -73.65 -39.76 64.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.304 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.3 m -60.2 -37.38 80.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.043 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.1 mt -82.83 -30.7 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.831 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.3 tm? -64.2 -36.63 84.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -53.88 -66.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.249 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -124.55 -73.41 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -164.58 -21.89 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.139 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.5 tp -110.55 -59.53 1.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.55 138.95 58.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -124.85 -178.15 4.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.5 p -53.43 -35.88 25.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.254 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -57.9 -42.91 85.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.725 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.11 -35.93 62.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.562 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.8 mmpt? -72.28 -42.17 65.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 109.842 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.623 HD13 ' HE2' ' A' ' 25' ' ' LYS . 56.7 mt -58.89 -58.2 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.25 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.97 66.55 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 27.7 tptp -54.67 -34.59 62.46 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.431 178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.609 HD22 HG13 ' A' ' 24' ' ' VAL . 6.6 mp -84.03 -28.78 27.42 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.307 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.4 mtp -63.66 -21.51 66.42 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.83 -53.77 16.6 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.628 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.161 0.505 . . . . 0.0 110.265 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.14 85.51 0.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.962 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.527 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.6 m-85 -145.73 179.97 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.554 0.216 . . . . 0.0 110.552 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.17 146.32 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.646 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.492 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.0 p90 -76.31 -35.85 58.6 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -61.38 -41.12 96.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.551 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 41.3 mt-10 -67.05 -33.09 74.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.491 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.609 HG13 HD22 ' A' ' 14' ' ' LEU . 81.7 t -68.51 -64.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.742 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.29 -46.76 69.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -179.326 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.2 ptt180 -61.56 -38.29 86.95 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.676 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.72 -26.72 64.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.959 0.409 . . . . 0.0 110.733 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -74.95 -52.54 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.515 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -60.8 -45.05 95.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.365 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.18 -43.89 82.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.443 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.36 22.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.525 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 57.83 52.22 8.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.312 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 m120 58.11 56.14 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -128.18 126.85 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -81.83 -49.28 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.28 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HG3' ' H ' ' A' ' 37' ' ' VAL . 5.6 pt-20 -47.89 -56.82 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.449 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 33.8 t -58.88 -52.27 62.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.971 0.415 . . . . 0.0 110.726 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.24 -19.72 64.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.628 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 35' ' ' VAL . 5.2 ttp180 -80.42 -31.72 37.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.283 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -72.45 -37.08 68.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.11 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.455 HG22 ' HA ' ' A' ' 38' ' ' ALA . 18.1 tt -82.33 -25.28 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.989 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? -59.34 -37.33 77.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.491 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -89.66 -55.61 3.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.219 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.64 -53.89 48.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.007 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.5 t80 65.41 135.36 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.309 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.173 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.737 0.303 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mp 58.53 -85.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.386 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.12 140.08 46.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -74.34 114.12 12.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -58.8 -31.78 45.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.725 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.12 -34.81 78.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.75 90.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.284 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 5.9 mmpt? -66.63 -49.09 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.024 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.67 HD13 ' HE2' ' A' ' 25' ' ' LYS . 75.1 mt -56.04 -58.16 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.466 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.15 -34.99 64.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.911 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.7 tptt -56.21 -35.51 67.39 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.425 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.73 HD22 HG13 ' A' ' 24' ' ' VAL . 7.8 mp -84.2 -26.03 29.06 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.95 -24.41 67.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.202 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.94 -53.79 16.9 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.647 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -57.33 -38.28 73.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.328 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.16 78.45 1.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.063 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -140.92 176.55 8.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.501 0.191 . . . . 0.0 110.595 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -53.52 135.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.605 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.414 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 30.3 p90 -72.49 -32.71 66.41 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.98 -46.01 92.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.243 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 40.1 mt-10 -64.87 -29.27 70.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.73 HG13 HD22 ' A' ' 14' ' ' LEU . 82.3 t -67.6 -65.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.351 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.67 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -51.04 -46.64 61.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.559 -179.436 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.9 ptp180 -59.96 -38.46 82.53 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.217 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -67.43 -36.05 80.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.104 0.478 . . . . 0.0 110.826 179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.93 -65.18 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -47.95 -54.12 13.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.816 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 88.6 mt -55.4 -44.35 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.516 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.42 25.63 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.58 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 55.36 50.91 13.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.25 59.02 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.45 HD22 ' HA ' ' A' ' 34' ' ' ASN . 6.1 m120 -124.27 132.03 53.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.737 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.29 -36.8 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.297 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.14 -63.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.383 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.75 -43.06 72.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.083 0.468 . . . . 0.0 110.534 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.09 -36.78 80.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.523 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -64.05 -40.18 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.117 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.4 p -61.85 -47.41 85.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.335 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 32.4 pt -77.35 -11.96 13.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.273 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.3 tm? -79.4 -47.14 16.24 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -92.06 -66.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.727 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.35 -70.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.675 -179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -55.71 -73.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.127 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.168 -179.847 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.832 0.349 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.9 mt -100.88 -69.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -127.82 90.26 3.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -111.69 -44.78 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 11' ' ' ILE . 10.2 m -66.06 -42.29 91.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.362 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.65 -38.64 60.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.26 90.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.761 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 10.1 mmmm -68.98 -41.67 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.199 0.523 . . . . 0.0 110.034 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.435 HD13 ' HD2' ' A' ' 25' ' ' LYS . 52.3 mt -58.07 -58.36 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.341 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.27 -37.71 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.5 tptt -53.24 -34.45 57.22 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.606 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD22 HG13 ' A' ' 24' ' ' VAL . 6.5 mp -86.97 -27.57 23.2 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.583 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -62.9 -22.84 67.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.438 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.41 -56.43 7.17 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.048 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.74 -42.89 89.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.858 0.361 . . . . 0.0 110.629 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.13 87.74 1.84 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.824 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.414 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.0 m-85 -149.94 179.94 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.651 0.262 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -55.14 139.96 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -71.83 -29.95 64.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.237 0.541 . . . . 0.0 109.652 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.94 -42.39 99.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.282 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.28 -27.39 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.077 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 20' ' ' ALA . 96.7 t -68.88 -57.16 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.981 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -70.58 -33.02 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.66 -178.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -68.48 -34.23 75.56 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.35 -35.16 63.56 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.718 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.61 -33.2 64.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.738 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.11 -52.43 16.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.095 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.43 -48.09 86.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.269 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.6 32.49 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.449 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 65.36 -76.68 0.04 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.434 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -164.4 19.5 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.77 113.7 22.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -36.4 20.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.994 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.78 -58.49 7.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.66 -42.57 92.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.28 -28.7 69.38 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.325 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -76.4 -33.39 58.86 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.316 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.2 m -64.19 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.993 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 tt -88.26 -23.99 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.893 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? -55.9 -36.11 67.31 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -76.43 -31.53 57.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.31 -73.41 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -65.66 141.6 58.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.058 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 4' ' ' LEU . 6.7 mp -104.66 -58.22 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' HB2' ' HB3' ' A' ' 8' ' ' ASP . 11.5 pt-20 -60.46 144.4 51.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -129.8 -54.2 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.7 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -83.8 -32.84 8.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.956 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.469 ' HB3' ' HB2' ' A' ' 5' ' ' GLU . 19.3 t70 -58.97 -39.64 82.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.758 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.61 -40.0 65.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.762 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 25.6 mmmt -69.91 -44.19 70.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.169 0.509 . . . . 0.0 109.945 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.593 HD13 ' HE2' ' A' ' 25' ' ' LYS . 55.3 mt -56.76 -58.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.286 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.554 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -55.26 -37.38 67.17 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 23.8 tptp -54.27 -33.16 57.99 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.55 178.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.655 HD22 HG13 ' A' ' 24' ' ' VAL . 6.8 mp -85.45 -30.12 23.78 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.404 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.554 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 8.9 mmm -60.45 -25.62 66.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.463 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.03 -55.8 7.24 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.195 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -58.48 -38.61 77.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.988 0.423 . . . . 0.0 110.62 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.79 92.39 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.85 -0.613 . . . . 0.0 112.727 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.444 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -151.62 -174.48 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.726 0.298 . . . . 0.0 110.657 179.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -57.45 145.0 34.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.48 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 95.7 m-85 -74.55 -37.52 62.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 109.898 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.48 -38.62 91.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.513 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -68.76 -29.92 68.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.655 HG13 HD22 ' A' ' 14' ' ' LEU . 52.2 t -69.23 -65.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.487 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -56.34 -43.32 78.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.492 -179.31 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 30' ' ' ILE . 10.1 ptm180 -63.14 -37.21 86.31 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.55 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.41 71.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.16 0.505 . . . . 0.0 110.289 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.8 mt -71.32 -33.76 69.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.046 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -77.14 -37.05 54.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.411 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 26' ' ' ARG . 75.3 mt -55.66 -63.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.295 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.05 45.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.246 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 64.3 -77.38 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -161.46 14.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.82 0.343 . . . . 0.0 110.684 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.88 111.92 14.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -33.61 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.24 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -55.22 -60.53 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.153 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.92 -47.24 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.064 0.459 . . . . 0.0 110.555 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -56.65 -30.83 63.78 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.34 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -74.19 -34.85 63.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.508 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -59.48 -45.95 90.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.126 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 41' ' ' ILE . 3.3 mp -77.44 -29.85 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.269 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.8 tm? -55.73 -39.99 71.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.59 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 7.7 tpm_? -69.19 -68.56 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -125.89 -80.7 0.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.612 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -174.1 -75.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.627 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.263 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.588 0.232 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 4' ' ' LEU . 7.1 mp 55.95 -159.36 0.21 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' H ' ' HB3' ' A' ' 4' ' ' LEU . 11.4 pt-20 -53.89 -27.32 29.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.56 91.8 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.956 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.24 -34.97 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.304 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -57.0 -45.46 82.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.701 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.9 -35.49 64.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.978 0.418 . . . . 0.0 110.415 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.8 mmpt? -71.19 -41.06 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.746 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.606 HD13 ' HE3' ' A' ' 25' ' ' LYS . 68.9 mt -61.74 -57.38 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.331 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.33 -39.5 60.74 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 47.9 tptt -54.19 -38.26 65.43 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.239 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD12 HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -79.03 -27.36 43.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.45 178.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 95.1 mmm -69.92 -18.82 63.4 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.643 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.13 -57.12 5.7 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.308 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -59.84 -36.71 77.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.903 0.382 . . . . 0.0 110.753 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.64 99.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.839 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -155.84 -178.42 7.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.575 0.226 . . . . 0.0 110.592 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -55.6 145.92 22.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.802 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.452 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 45.1 p90 -76.34 -27.56 56.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.014 0.435 . . . . 0.0 110.22 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.7 -44.21 78.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.568 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 36.7 mt-10 -67.31 -28.24 67.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.612 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.658 HG13 HD22 ' A' ' 14' ' ' LEU . 70.8 t -72.53 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.762 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.6 mptt -55.87 -36.16 67.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.614 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 29.6 ptt180 -70.28 -38.64 75.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.346 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.45 -18.01 62.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.65 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 mt -86.2 -57.39 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.171 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -57.03 -44.18 82.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.44 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.7 -43.27 93.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.616 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.01 26.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.885 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 52.87 48.43 22.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.356 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 59.44 61.34 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.201 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -131.98 126.33 33.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.825 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.697 HG23 HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -90.21 -37.26 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.178 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.16 -57.67 11.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.59 -44.39 98.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.467 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -60.84 -29.99 69.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.664 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -69.95 -49.96 46.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.4 p -57.38 -33.14 67.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.316 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.2 mt -86.33 -23.72 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.821 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.1 tm? -64.35 -40.36 95.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.674 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -90.63 -23.23 20.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.01 -37.1 73.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -75.24 80.53 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.755 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.065 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.428 ' HB3' ' HD2' ' A' ' 10' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.877 0.37 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 4' ' ' LEU . 7.0 mp -71.2 -61.8 1.63 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.2 161.92 28.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 57.26 68.1 0.9 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.233 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.2 m -62.81 -30.57 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.979 0.419 . . . . 0.0 110.656 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.28 -35.49 75.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.383 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.26 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.356 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -68.73 -45.93 70.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.306 0.574 . . . . 0.0 109.819 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.581 HD13 ' HE3' ' A' ' 25' ' ' LYS . 60.9 mt -56.53 -58.15 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.218 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.16 -36.7 66.11 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.661 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.0 tptt -54.13 -33.97 59.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.25 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.618 HD22 HG13 ' A' ' 24' ' ' VAL . 5.9 mp -84.43 -29.62 25.98 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.385 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 60.5 mtt -59.87 -25.46 65.08 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.372 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -57.44 5.56 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.217 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -56.78 -39.34 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.654 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.93 83.16 1.35 Allowed Glycine 0 C--N 1.331 0.253 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.681 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -142.2 -179.55 6.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -53.86 150.56 7.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.891 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -78.51 -31.75 47.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.344 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.14 -44.09 89.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.763 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HA ' ' NE ' ' A' ' 26' ' ' ARG . 40.6 mt-10 -65.19 -30.48 71.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.618 HG13 HD22 ' A' ' 14' ' ' LEU . 81.6 t -71.12 -67.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.861 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.2 mptt -55.11 -34.09 63.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.771 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NE ' ' HA ' ' A' ' 23' ' ' GLU . 25.2 ptt180 -71.06 -38.31 72.5 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.444 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.499 ' HB1' ' HA ' ' A' ' 38' ' ' ALA . . . -70.61 -23.43 62.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.977 0.417 . . . . 0.0 110.524 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.9 mt -85.31 -37.4 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.979 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -69.96 -51.91 28.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.105 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.88 -45.67 79.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.21 30.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.377 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 65.09 -81.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.2 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.45 ' C ' HD22 ' A' ' 33' ' ' ASN . 0.3 OUTLIER -155.0 25.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -95.98 126.15 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG13 ' OE2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -83.34 -28.62 7.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.861 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' OE2' HG13 ' A' ' 35' ' ' VAL . 2.9 mp0 -61.34 -59.43 5.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.51 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -57.29 -37.45 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.181 0.515 . . . . 0.0 109.683 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . . . -63.17 -36.08 82.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.112 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -68.05 -32.86 73.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.358 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.2 t -64.15 -45.56 87.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.237 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' A' ' 46' ' ' ALA . 46.9 mt -77.64 -27.22 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.655 179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.0 tm? -64.61 -43.05 94.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.04 -67.12 0.42 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.631 ' HG3' ' H ' ' A' ' 45' ' ' PHE . 3.3 pt-20 -124.63 -80.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.22 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.631 ' H ' ' HG3' ' A' ' 44' ' ' GLU . 65.2 t80 -171.74 142.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' HB3' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.776 0.322 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -88.48 -170.96 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -84.2 89.34 7.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.015 0.436 . . . . 0.0 110.987 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -109.32 -153.69 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.659 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 11' ' ' ILE . 28.8 m -51.59 -30.64 11.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.66 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.12 -51.73 63.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.71 58.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.967 0.413 . . . . 0.0 110.257 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -71.55 -41.63 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.766 179.021 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.64 HD13 ' HE3' ' A' ' 25' ' ' LYS . 66.8 mt -59.69 -59.02 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.264 179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.28 57.71 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.764 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 28.0 tptp -53.9 -38.84 65.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.814 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.642 HD22 HG13 ' A' ' 24' ' ' VAL . 8.0 mp -84.24 -26.29 28.78 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.681 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' ILE . 98.0 mmm -64.03 -24.71 67.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.342 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.31 -56.69 10.23 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.972 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -56.38 -34.34 66.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.554 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.31 85.39 0.71 Allowed Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.56 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.531 ' HB2' HD11 ' A' ' 42' ' ' LEU . 3.4 m-85 -144.88 -176.76 5.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.694 0.283 . . . . 0.0 110.925 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.493 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.57 142.11 18.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.4 p90 -75.93 -31.67 59.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.017 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.1 -46.02 90.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.483 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -62.69 -38.15 89.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.454 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.642 HG13 HD22 ' A' ' 14' ' ' LEU . 96.4 t -65.2 -70.08 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.12 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.64 ' HE3' HD13 ' A' ' 11' ' ' ILE . 13.6 mptt -51.46 -43.77 62.22 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -63.16 -36.14 82.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.706 0.288 . . . . 0.0 110.877 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.483 ' HB1' ' HA ' ' A' ' 38' ' ' ALA . . . -75.02 -21.37 59.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.142 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 mt -85.86 -43.91 12.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.343 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.87 -45.94 69.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.369 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.12 -46.46 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.93 27.86 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 64.1 -78.02 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.085 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -157.16 28.15 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.606 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -97.15 119.39 35.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.785 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.422 HG23 HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -84.49 -27.17 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.799 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.21 -53.81 53.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.475 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.9 t -63.53 -39.79 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.21 0.529 . . . . 0.0 109.876 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.23 -27.46 69.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.329 179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -74.16 -42.09 60.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.731 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.1 p -59.81 -43.65 94.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.375 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.5 tp -74.99 -26.54 19.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -67.82 -31.28 71.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -58.72 -69.07 0.21 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.432 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -126.1 -77.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.959 0.409 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -163.93 12.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.383 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.988 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.757 0.313 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.3 mm? -94.36 -60.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -117.07 137.2 52.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -110.27 -176.47 3.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.6 m -62.29 -36.08 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.68 -41.37 73.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.055 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.4 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 10.7 mmmm -70.38 -40.35 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.111 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.631 HD13 ' HE2' ' A' ' 25' ' ' LYS . 57.4 mt -60.57 -58.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.201 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.09 -36.59 65.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 51.4 tptt -55.2 -35.41 64.83 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.547 178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD22 HG13 ' A' ' 24' ' ' VAL . 1.9 mp -83.08 -30.67 27.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.137 178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 84.0 mtp -64.69 -20.2 66.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.556 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.76 -54.33 9.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.934 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.33 -38.72 87.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.58 95.21 1.64 Allowed Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.941 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.526 ' HB2' HD11 ' A' ' 42' ' ' LEU . 1.1 m-85 -155.77 -176.47 5.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.728 0.299 . . . . 0.0 110.761 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -56.83 154.5 9.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.411 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 92.7 m-85 -82.45 -39.84 22.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.129 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -59.56 -38.79 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.837 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.71 -33.03 73.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.36 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG13 HD22 ' A' ' 14' ' ' LEU . 75.6 t -69.04 -66.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.611 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.631 ' HE2' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -53.54 -42.81 67.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.389 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -63.03 -38.62 91.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.14 69.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.527 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.621 HD21 HD13 ' A' ' 14' ' ' LEU . 45.8 mt -70.69 -47.31 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.247 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.36 -44.58 90.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.325 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -52.67 -60.62 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.226 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.79 39.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.198 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 62.7 -85.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -151.97 27.35 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 0.0 110.528 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -90.7 124.79 35.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -28.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.816 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.29 -56.01 25.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -60.16 -47.02 93.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.961 0.41 . . . . 0.0 110.362 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -56.1 -40.37 73.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.103 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.3 mtp180 -68.9 -34.03 74.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.474 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -59.61 -37.46 78.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.306 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.7 pt -96.56 -12.54 8.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 19' ' ' TYR . 2.0 tm? -66.01 -52.07 52.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -83.93 -27.23 28.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.379 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -78.51 18.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.363 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -84.05 93.89 8.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.847 0.356 . . . . 0.0 110.724 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.116 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.561 0.219 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt 61.67 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.118 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -95.91 108.47 20.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.969 0.414 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -143.76 -59.67 0.4 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.205 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.6 m -73.5 -28.4 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.379 . . . . 0.0 110.979 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.78 -39.29 88.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.902 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.43 -40.76 68.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.754 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.0 mmpt? -69.63 -45.56 68.21 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.212 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.655 HD13 ' HE2' ' A' ' 25' ' ' LYS . 65.9 mt -57.06 -58.78 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.386 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.37 -38.44 66.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.735 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 24.8 tptt -53.55 -34.8 59.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.588 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.596 HD22 HG13 ' A' ' 24' ' ' VAL . 6.6 mp -85.52 -28.6 24.84 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.405 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.7 mmt -62.49 -23.47 66.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.91 -56.24 9.01 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.946 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.17 -35.98 74.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.962 0.411 . . . . 0.0 110.632 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.15 100.86 1.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.688 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.612 ' HB2' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -155.85 -171.2 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.624 0.25 . . . . 0.0 110.688 179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -176.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 111.152 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -101.89 -53.7 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.826 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -54.91 -34.92 63.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.824 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 39.5 mt-10 -70.95 -37.81 72.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.308 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.596 HG13 HD22 ' A' ' 14' ' ' LEU . 63.2 t -69.46 -59.16 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.386 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.1 mptm? -55.45 -46.34 76.77 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.295 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 26.3 ptt180 -60.72 -36.41 78.79 Favored 'General case' 0 C--N 1.333 -0.118 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.42 -24.7 63.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.318 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -84.75 -30.32 24.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.891 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -76.06 -50.31 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 73.4 mt -61.96 -41.92 92.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.161 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.88 8.51 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 69.07 -72.97 0.09 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.983 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -157.29 19.37 0.29 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.844 0.354 . . . . 0.0 110.681 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -99.83 120.4 39.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.09 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.45 HG13 ' OE2' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -89.89 -27.67 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 179.79 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' OE2' HG13 ' A' ' 35' ' ' VAL . 3.5 mp0 -57.4 -52.61 64.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.2 -41.68 90.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.161 0.505 . . . . 0.0 110.25 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -64.03 -31.87 73.22 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.603 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.54 -39.58 81.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.1 m -62.94 -39.12 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.226 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 mm -80.26 -27.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.612 HD11 ' HB2' ' A' ' 19' ' ' TYR . 0.7 OUTLIER -73.18 -33.52 65.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -83.74 -33.33 25.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.256 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.09 19.35 1.82 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.171 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 59.88 -174.36 0.11 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.01 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.024 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.739 0.304 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.3 tp 61.0 -85.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.102 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.92 164.0 23.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.781 0.324 . . . . 0.0 110.656 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -77.16 73.37 3.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.758 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.8 m -59.6 -33.54 52.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.229 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -54.31 -42.07 69.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.08 -36.66 73.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.958 0.408 . . . . 0.0 110.437 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 26.5 mmmt -71.44 -39.66 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.755 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.565 HG21 ' HE3' ' A' ' 25' ' ' LYS . 52.6 mt -60.74 -57.34 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.808 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.23 -37.06 64.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 48.3 tptt -54.45 -36.9 64.56 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.426 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.586 HD22 HG13 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -81.12 -32.29 33.85 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.243 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.0 mtp -65.1 -18.17 65.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.811 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.7 -53.67 12.81 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.768 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -60.57 -52.77 63.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.071 0.463 . . . . 0.0 110.505 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.03 100.19 2.63 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.543 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -156.0 -174.97 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -54.41 139.4 37.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.669 0.271 . . . . 0.0 110.474 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.474 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 72.2 m-85 -73.59 -37.96 65.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.158 0.504 . . . . 0.0 109.863 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 1.7 tm-20 -63.35 -42.83 98.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.561 ' HA ' ' HG2' ' A' ' 26' ' ' ARG . 40.4 mt-10 -67.23 -35.36 79.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.863 -179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.586 HG13 HD22 ' A' ' 14' ' ' LEU . 51.1 t -64.34 -61.05 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.572 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HE3' HG21 ' A' ' 11' ' ' ILE . 14.0 mptt -55.75 -47.49 76.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.561 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 4.2 ptp180 -60.7 -32.19 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 26' ' ' ARG . . . -73.15 -25.45 60.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.502 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD21 HD13 ' A' ' 14' ' ' LEU . 34.8 mt -81.21 -46.34 14.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.361 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.1 -56.13 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.449 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 68.8 mt -56.31 -41.5 71.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.869 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.74 15.06 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 58.18 49.41 11.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.903 0.382 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 57.63 58.19 3.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -129.91 101.91 6.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.456 HG23 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -64.71 -30.71 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.295 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.59 -62.55 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.335 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 45.2 t -55.64 -46.94 79.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.644 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -57.67 -39.3 76.78 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.417 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -68.98 -33.87 74.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.587 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -57.67 -46.17 84.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.063 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 tp -81.79 -23.49 9.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.632 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -67.96 -29.49 68.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.415 179.729 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -88.03 -25.03 23.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.729 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.24 -28.63 65.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -126.74 124.28 39.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.274 -0.87 . . . . 0.0 111.049 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.734 0.302 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -126.56 -75.25 0.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -99.24 135.55 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -144.0 -167.32 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 m -57.53 -39.0 66.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.295 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -55.62 -46.29 77.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.79 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.12 63.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.463 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 11.7 mmmm -69.46 -38.52 77.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.755 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.558 HD13 ' HE2' ' A' ' 25' ' ' LYS . 57.2 mt -62.69 -57.99 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.069 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -52.39 -38.69 59.56 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 46.0 tptt -53.2 -40.34 64.37 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.136 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -76.48 -30.26 57.19 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.555 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.487 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -66.65 -18.54 65.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.654 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.59 -54.89 4.75 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.168 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 110.586 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.15 84.98 1.5 Allowed Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.621 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -142.08 -179.56 6.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.644 0.259 . . . . 0.0 111.292 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -52.4 153.07 3.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.426 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 43.5 p90 -79.87 -32.05 40.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.381 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.87 -45.41 86.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -63.99 -33.32 75.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.474 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 14' ' ' LEU . 74.8 t -68.79 -68.83 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.999 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE2' HD13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -53.93 -38.8 65.28 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -67.9 -36.42 80.18 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.553 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.01 -30.19 66.35 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.925 0.393 . . . . 0.0 110.621 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.6 mt -75.73 -39.12 57.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.759 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.5 -51.21 61.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.965 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -55.89 -49.04 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.81 29.97 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.263 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 64.76 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -151.09 24.57 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.749 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -91.14 126.4 36.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -90.36 -41.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.152 179.786 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -54.06 -53.24 55.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.86 -44.41 98.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.168 0.509 . . . . 0.0 110.111 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.475 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -71.77 -39.68 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.4 t -59.5 -44.43 93.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.279 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.5 pt -79.02 -27.28 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 2.5 tm? -59.08 -35.93 74.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.721 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -86.98 -55.16 3.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.79 -74.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.096 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -72.63 98.54 2.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.099 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.748 0.309 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -63.35 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -100.18 5.48 44.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 58.28 79.82 0.2 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.198 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.3 t -59.57 -36.08 62.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -54.37 -43.02 70.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.613 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.6 -36.47 66.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.356 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 20.2 mmmt -71.4 -39.55 71.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.415 0.626 . . . . 0.0 109.485 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.551 HG21 ' HE2' ' A' ' 25' ' ' LYS . 37.1 mt -60.53 -58.36 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.289 179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.7 -35.62 63.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 tptt -55.38 -36.63 66.58 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.517 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD22 HG13 ' A' ' 24' ' ' VAL . 5.5 mp -85.71 -28.41 24.67 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.585 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -65.72 -20.01 66.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.234 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.91 -55.93 13.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.854 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.65 -36.57 69.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.925 0.393 . . . . 0.0 110.475 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.98 87.73 0.9 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.425 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -147.39 -178.8 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.559 0.219 . . . . 0.0 110.9 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -46.3 128.91 10.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.677 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 97.1 m-85 -71.17 -34.19 70.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.116 0.484 . . . . 0.0 109.874 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.78 -42.08 95.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.488 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.6 -28.86 68.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.36 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 20' ' ' ALA . 79.1 t -72.23 -64.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.505 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HE2' HG21 ' A' ' 11' ' ' ILE . 1.3 mptm? -52.16 -43.13 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.347 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -65.58 -39.43 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.57 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -16.78 62.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.982 0.42 . . . . 0.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 11' ' ' ILE . 68.9 mt -89.33 -53.7 4.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.215 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.08 -53.98 51.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 76.6 mt -55.17 -45.59 77.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.373 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.9 42.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.164 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 56.92 -92.94 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.89 4.62 0.41 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.775 0.321 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -62.36 121.63 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.418 HG21 ' HE3' ' A' ' 10' ' ' LYS . 73.3 t -85.67 -37.31 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.131 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -56.82 -50.12 73.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.758 0.314 . . . . 0.0 110.701 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.7 -41.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.063 0.459 . . . . 0.0 110.277 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -63.52 -26.04 68.52 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -76.62 -39.66 51.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.7 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.6 p -62.82 -36.42 83.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.161 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.8 mm -79.95 -37.68 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.81 179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 1.7 tm? -62.13 -38.01 87.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.513 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -71.78 -29.3 64.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.104 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -91.24 9.39 31.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.02 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.3 t80 62.04 -83.92 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.204 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.7 mm? -92.39 -67.45 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -99.58 124.04 44.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -142.73 -38.35 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' ILE . 24.9 m -61.37 -34.19 60.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -57.5 -45.89 84.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.718 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.04 -35.74 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.96 0.409 . . . . 0.0 110.202 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 6.2 mmpt? -69.47 -42.8 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.316 178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 7' ' ' VAL . 66.1 mt -58.1 -57.94 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.335 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 15' ' ' MET . . . -53.26 -39.71 64.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.746 178.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 13.7 tptm -53.25 -36.3 60.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.629 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 HG13 ' A' ' 24' ' ' VAL . 7.4 mp -88.53 -21.97 23.84 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.704 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.437 ' HB2' ' HA ' ' A' ' 12' ' ' ALA . 90.4 mmm -66.32 -23.94 66.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.37 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.81 -56.14 7.74 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.916 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -35.28 68.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.993 0.425 . . . . 0.0 110.47 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.17 91.92 0.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.689 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.54 -175.93 5.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.824 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 24' ' ' VAL . . . -57.62 142.5 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.623 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -74.54 -33.33 62.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 109.977 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.0 -38.96 89.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.63 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.26 -25.75 65.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.015 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.677 HG13 HD22 ' A' ' 14' ' ' LEU . 63.7 t -74.44 -54.29 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.756 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -68.85 -28.25 66.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.346 -178.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -76.74 -36.52 57.07 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.86 -25.32 62.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.28 -52.43 8.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.045 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.22 -51.66 68.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.26 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 95.1 mt -55.0 -42.04 62.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.431 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.98 23.67 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.739 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 57.61 46.72 17.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 111.038 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.4 m120 59.21 59.48 2.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -136.14 126.57 26.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.745 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.461 HG23 HD11 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -79.63 -28.42 12.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -58.16 -64.1 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.775 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.9 t -57.77 -36.78 56.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.224 0.535 . . . . 0.0 109.916 179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -65.23 -29.85 70.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.265 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -73.53 -32.7 64.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.494 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.4 t -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.624 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 tt -81.8 -31.12 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.348 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -69.68 -44.6 70.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.765 -179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -71.64 -57.52 4.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -62.74 -81.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.255 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -171.41 150.35 2.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.017 179.859 . . . . . . . . 0 0 . 1 stop_ save_