data_1p0a_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 1p0a _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 ' 1' ' ' ASP . . . . . 0.628 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 65.2 m-20 . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.918 0.389 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -117.58 132.36 56.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.688 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 61.2 tp -81.99 109.37 16.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.524 HD13 ' SG ' ' A' ' 42' ' ' CYS . 33.1 pt -113.24 -27.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.527 ' HA2' ' HB3' ' A' ' 13' ' ' ASN . . . -164.31 -151.33 6.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.846 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 35.2 t -136.87 136.91 39.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.886 0.374 . . . . 0.0 110.758 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 40' ' ' CYS . 34.0 m -96.57 39.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.2 t -133.52 129.11 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -59.72 143.03 51.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.79 7.39 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 148.79 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.651 0.262 . . . . 0.0 110.95 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.93 -51.98 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.527 ' HB3' ' HA2' ' A' ' 5' ' ' GLY . 3.4 m120 -86.87 36.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -63.03 133.81 55.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.283 0.563 . . . . 0.0 112.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -157.14 123.83 5.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.454 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.3 p -80.31 -54.83 5.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.907 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.451 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -82.27 60.26 4.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 110.817 -179.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.8 t -53.88 -44.82 70.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.213 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.523 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -55.2 -49.91 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HB1' ' CG ' ' A' ' 17' ' ' ASN . . . -65.97 -41.86 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.449 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 21.4 tp10 -57.71 -50.94 71.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 110.169 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.88 -43.99 97.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.835 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.79 -40.13 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.194 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -63.64 -50.42 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.9 mtt180 -58.66 -39.18 79.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.63 43.43 0.19 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.164 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -117.28 164.68 14.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 44' ' ' THR . 88.9 mttt -58.47 -47.18 84.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.938 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.65 -147.2 5.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.515 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -168.07 141.97 7.16 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -150.56 1.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.514 ' HA ' ' H ' ' A' ' 41' ' ' TRP . 45.2 m . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 120.458 0.17 . . . . 0.0 111.323 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.108 0.48 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.517 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 76.1 m-20 -101.54 149.72 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.318 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 38.5 t -80.94 87.95 5.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 94.5 m95 -89.56 112.49 23.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.905 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 99.8 m -73.28 125.67 28.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.44 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.33 120.05 12.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.073 0.464 . . . . 0.0 109.776 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.502 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 12.4 t . . . . . 0 C--O 1.255 1.359 0 CA-C-O 117.972 -1.013 . . . . 0.0 108.85 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.023 0.439 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -98.38 125.91 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.225 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.412 HD21 ' N ' ' A' ' 4' ' ' ILE . 4.5 tt -76.82 124.35 27.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.585 HG22 ' SG ' ' A' ' 42' ' ' CYS . 46.3 pt -116.31 -34.09 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.84 -138.07 2.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.03 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 8.8 t -129.7 151.13 50.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.799 0.333 . . . . 0.0 110.442 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -111.1 50.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.262 0.553 . . . . 0.0 110.661 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 43.6 t -120.56 130.51 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.077 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -67.35 126.64 29.9 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -25.15 29.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.302 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 8' ' ' VAL . . . -68.1 141.34 56.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.01 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 0.0 111.394 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.84 23.32 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' SER . 12.4 t80 -80.78 126.2 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 16' ' ' SER . 25.5 p -93.74 7.64 44.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 15' ' ' THR . 74.4 m 70.27 -44.94 0.58 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.426 0.69 . . . . 0.0 111.394 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 15' ' ' THR . 28.4 t30 -161.43 106.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.44 -43.46 93.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.878 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.543 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -52.35 -49.23 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.927 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.35 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.4 tp10 -55.92 -50.98 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.996 0.426 . . . . 0.0 110.645 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 85.1 m -64.25 -44.31 92.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 70.3 tttt -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -65.29 -50.21 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.633 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.0 mtt180 -56.25 -40.57 74.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.27 40.15 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' HD2' ' HB ' ' A' ' 44' ' ' THR . 23.8 m-85 -119.2 156.52 29.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -55.77 -42.55 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.257 0.348 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.49 -152.1 9.43 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.59 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.509 ' HA2' ' HG3' ' A' ' 43' ' ' GLU . . . -171.31 153.13 19.73 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -148.52 30.39 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.914 0.357 . . . . 0.0 110.829 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.328 -0.365 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.017 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.235 0.298 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -76.94 150.64 35.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.458 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -101.81 126.38 48.68 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.585 ' SG ' HG22 ' A' ' 4' ' ' ILE . 22.2 m -88.02 122.9 32.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.509 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 94.5 mt-10 -64.15 118.32 8.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 0.0 110.934 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.1 t . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.051 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 58.3 m-20 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.9 tptm -85.15 130.73 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.529 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 41.3 tp -91.02 122.27 33.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.484 0.183 . . . . 0.0 110.534 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.519 HD12 ' SG ' ' A' ' 22' ' ' CYS . 30.7 pt -113.17 -40.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.331 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.61 -135.9 1.93 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.15 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -133.17 145.42 50.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.451 ' SG ' ' HA ' ' A' ' 40' ' ' CYS . 56.3 m -92.88 -33.46 14.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.075 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 38' ' ' VAL . 46.7 t -65.95 134.72 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.454 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . 14.3 t90 -73.76 110.59 8.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.43 46.45 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.17 148.63 25.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.194 . . . . 0.0 110.744 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.61 -50.78 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.726 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.96 46.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.652 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 9' ' ' TRP . 21.3 t80 -66.01 136.71 56.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -149.26 -56.87 0.2 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.1 m 67.83 -51.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.43 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.46 61.54 6.26 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.921 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -58.83 -46.91 86.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.393 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.473 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -51.82 -50.08 61.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.699 -179.172 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.59 72.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 3.6 tp10 -62.72 -53.13 59.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.106 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.519 ' SG ' HD12 ' A' ' 4' ' ' ILE . 42.6 m -61.78 -46.72 88.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.017 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -60.77 -41.37 95.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.607 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -59.39 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.441 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 96.5 mtt180 -57.77 -39.51 77.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.773 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.3 7.59 1.07 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.282 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' HD2' ' OG1' ' A' ' 44' ' ' THR . 77.5 m-85 -82.39 163.94 21.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.622 -0.34 . . . . 0.0 110.453 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -52.7 -49.36 65.48 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.642 0.589 . . . . 0.0 110.407 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.95 -138.11 3.1 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.826 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -166.96 143.31 8.21 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.09 -13.02 0.63 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.506 ' HA ' ' H ' ' A' ' 41' ' ' TRP . 13.7 t . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 121.633 0.73 . . . . 0.0 109.378 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.771 ' HA ' HG22 ' A' ' 8' ' ' VAL . 15.6 m . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.594 0.235 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.462 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 72.3 m-80 -97.5 133.42 42.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.724 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.48 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -73.11 83.27 1.3 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.529 ' CZ3' ' HB2' ' A' ' 3' ' ' LEU . 92.8 m95 -84.83 121.98 28.5 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.604 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 74.4 m -80.83 136.99 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' C ' ' HG1' ' A' ' 44' ' ' THR . 40.4 mt-10 -65.91 112.42 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.439 ' HG1' ' C ' ' A' ' 43' ' ' GLU . 90.1 m . . . . . 0 C--O 1.254 1.321 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.159 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.489 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 67.9 m-20 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.673 0.273 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -115.67 131.03 57.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.064 0.459 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.505 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 40.2 tp -78.85 128.14 32.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.524 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.593 HG23 ' SG ' ' A' ' 42' ' ' CYS . 41.1 pt -121.79 -38.29 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.753 0.311 . . . . 0.0 110.962 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.415 ' N ' HG13 ' A' ' 4' ' ' ILE . . . -170.65 -147.11 5.45 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.205 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 10.2 t -122.77 145.62 48.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.95 0.405 . . . . 0.0 110.403 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.24 -24.62 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.09 142.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.169 0.509 . . . . 0.0 111.647 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -68.49 148.25 50.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.319 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.01 -24.89 13.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.933 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.03 151.53 21.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.859 0.361 . . . . 0.0 111.476 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.52 -46.32 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -92.28 38.02 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.409 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.24 131.12 45.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.22 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t -105.54 142.12 35.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 m -60.63 -33.83 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.418 0.628 . . . . 0.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.76 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 17.5 t-20 -163.28 113.78 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 t -55.99 -51.07 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -46.98 86.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.76 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . . . -64.38 -43.69 93.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 47.2 tp10 -59.7 -52.03 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.659 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.63 -44.26 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.951 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -59.55 -42.18 91.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.25 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -61.04 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.4 mtt180 -61.16 -35.49 77.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.412 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.78 46.06 0.18 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.294 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -126.86 166.49 17.36 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -61.37 -45.16 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.417 . . . . 0.0 110.435 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.18 9.84 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.645 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -149.46 136.22 5.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' HB3' ' A' ' 32' ' ' CYS . 34.7 m-70 -75.41 -40.55 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 31' ' ' HIS . 15.5 t . . . . . 0 N--CA 1.471 0.619 0 O-C-N 123.77 0.669 . . . . 0.0 109.75 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 75.0 m-20 -65.95 145.11 56.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.727 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.7 t -79.34 107.04 11.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.32 116.15 28.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.593 ' SG ' HG23 ' A' ' 4' ' ' ILE . 84.2 m -77.68 129.16 35.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.323 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 85.5 mt-10 -70.58 117.53 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.993 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.086 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 2.7 p30 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.914 0.388 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.835 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 50.1 tptt -148.42 122.8 9.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.168 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.05 100.74 13.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.652 HD13 HG22 ' A' ' 15' ' ' THR . 30.1 pt -85.61 -29.75 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.017 0.437 . . . . 0.0 110.465 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.38 -166.11 36.9 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.89 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -83.4 139.78 32.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.062 0.458 . . . . 0.0 110.718 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -88.92 -27.97 20.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.425 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' O ' HG11 ' A' ' 8' ' ' VAL . 9.9 p -88.15 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.109 0.481 . . . . 0.0 111.475 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -74.91 116.42 15.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.47 -47.18 0.42 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.34 151.91 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.333 . . . . 0.0 110.243 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.1 t -63.3 -40.48 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.284 0.564 . . . . 0.0 110.209 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.24 38.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.346 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -71.72 122.97 21.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.652 HG22 HD13 ' A' ' 4' ' ' ILE . 31.0 m -85.9 136.51 33.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.813 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -53.98 -48.06 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.167 0.508 . . . . 0.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -165.98 113.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.6 m -54.41 -57.62 10.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.101 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -47.04 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.398 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.02 -49.91 53.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 27.4 tt0 -64.77 -40.73 95.75 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.686 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' SG ' HD11 ' A' ' 4' ' ' ILE . 99.2 m -60.23 -45.65 92.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.975 0.416 . . . . 0.0 110.149 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.87 -38.6 88.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -61.67 -50.23 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' CZ ' HG22 ' A' ' 4' ' ' ILE . 73.8 mtt180 -61.43 -36.32 80.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.954 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.79 33.68 0.55 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.654 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -113.1 162.38 16.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . 41.2 mmtm -57.05 -43.44 82.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 0.0 110.464 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 -147.97 10.87 Favored Glycine 0 N--CA 1.442 -0.938 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.564 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.51 123.96 1.2 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -108.2 19.25 20.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.813 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.327 0.584 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -145.69 153.85 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.147 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.578 ' SG ' ' HB ' ' A' ' 15' ' ' THR . 36.9 m -74.4 85.28 1.98 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.327 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -82.2 112.2 19.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.59 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.835 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 71.4 m -79.24 134.86 36.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.238 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 91.2 mt-10 -77.58 126.17 30.47 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 34.4 m-20 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -113.17 129.42 56.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 56.4 tp -72.96 127.73 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.13 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.57 HG23 ' SG ' ' A' ' 42' ' ' CYS . 36.1 pt -120.08 -33.53 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.083 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.43 -160.28 24.88 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.748 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -105.18 134.95 47.42 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.86 0.13 57.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.209 0.528 . . . . 0.0 109.938 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.722 HG23 ' HB ' ' A' ' 38' ' ' VAL . 91.2 t -87.49 130.66 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.424 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -75.16 63.25 1.29 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.332 0.587 . . . . 0.0 110.79 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.11 53.5 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.25 159.94 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.654 0.264 . . . . 0.0 110.89 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.54 134.26 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 65.55 57.6 0.86 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.939 0.876 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -76.08 139.38 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -148.63 125.14 11.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -106.42 -49.02 3.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.18 50.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.326 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.7 m -61.99 -46.25 90.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.884 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.436 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 16.2 t-20 -50.7 -45.6 58.46 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.171 0.294 . . . . 0.0 111.403 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.34 82.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.223 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -74.19 -41.17 61.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -57.36 -48.27 79.47 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 109.605 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -64.63 -39.89 94.5 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.375 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -60.04 -50.14 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.751 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.2 mtt180 -58.0 -39.07 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.011 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.91 32.19 1.22 Allowed Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.341 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -87.63 -172.87 4.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.987 0.393 . . . . 0.0 110.49 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.94 -43.06 72.38 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.87 -148.4 8.94 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.806 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -162.43 142.82 8.22 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.37 20.12 1.89 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.763 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 15.5 t . . . . . 0 C--N 1.323 -0.561 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.722 ' HB ' HG23 ' A' ' 8' ' ' VAL . 34.3 m . . . . . 0 C--O 1.236 0.352 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.431 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 61.7 m-80 -65.39 156.46 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.763 ' SG ' ' HA ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -93.87 126.66 39.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.638 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 56.5 m95 -120.45 134.32 55.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.57 ' SG ' HG23 ' A' ' 4' ' ' ILE . 57.1 m -82.24 128.84 34.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.35 130.02 44.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.415 0.626 . . . . 0.0 111.307 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.252 1.196 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.321 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.884 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 25.3 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -101.01 120.06 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 39' ' ' ASN . 62.0 tp -75.64 123.26 25.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.627 0.251 . . . . 0.0 111.084 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.647 HG22 ' SG ' ' A' ' 42' ' ' CYS . 43.8 pt -120.92 -34.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.749 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.1 -150.42 6.19 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.597 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -127.2 131.84 50.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.744 0.307 . . . . 0.0 110.78 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.9 m -77.19 -31.71 55.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.794 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.603 HG12 HG21 ' A' ' 38' ' ' VAL . 12.7 p -71.48 139.77 19.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.431 0.634 . . . . 0.0 112.136 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -69.02 148.81 49.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.036 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.83 -39.68 2.77 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.322 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 145.85 49.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.57 0.224 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.82 -52.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.68 48.17 1.61 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.331 0.586 . . . . 0.0 111.003 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -67.6 133.76 49.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.438 HG21 ' SG ' ' A' ' 18' ' ' CYS . 1.1 t -159.21 116.76 2.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.969 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 t -116.69 42.28 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.833 0.825 . . . . 0.0 109.426 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.56 38.34 0.23 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 21' ' ' GLU . 63.8 m -67.43 -33.47 75.23 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.879 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.565 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -51.02 -44.7 61.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.609 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -73.0 -47.02 48.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.409 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 14.4 tp10 -55.35 -50.12 70.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.598 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.8 m -58.77 -43.76 90.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.396 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.87 -40.67 98.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 69.0 mtp85 -62.85 -50.44 70.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.695 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -56.69 -37.77 71.34 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.319 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.01 34.41 0.68 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.159 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-85 -104.78 -176.15 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 44' ' ' THR . 48.2 mmtm -71.79 -49.81 35.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.13 0.491 . . . . 0.0 109.701 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.3 -153.43 10.57 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -152.98 145.59 13.23 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -158.51 17.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 t . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -178.4 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.603 HG21 HG12 ' A' ' 8' ' ' VAL . 7.6 p . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.744 0.307 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.486 ' HB3' HD13 ' A' ' 3' ' ' LEU . 72.8 m-20 -100.1 141.94 32.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.676 0.274 . . . . 0.0 110.711 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 120.09 28.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.884 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.0 m95 -116.16 126.17 53.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.666 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.647 ' SG ' HG22 ' A' ' 4' ' ' ILE . 93.8 m -89.71 134.53 34.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.107 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 24.5 mm-40 -73.65 135.37 43.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.9 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.087 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.938 0.399 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 2' ' ' LYS . 10.5 mmmm -86.78 133.54 33.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.656 HD12 ' HB3' ' A' ' 39' ' ' ASN . 44.6 tp -92.59 108.98 20.39 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.557 HG21 ' SG ' ' A' ' 42' ' ' CYS . 49.7 pt -101.05 -32.36 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.037 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.12 -140.1 3.06 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.077 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -148.99 151.86 35.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.802 0.334 . . . . 0.0 110.848 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.588 ' HB2' HG11 ' A' ' 38' ' ' VAL . 91.5 m -90.98 2.59 56.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.03 126.32 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.776 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -68.45 143.44 55.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.48 -36.18 4.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.874 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.13 141.89 58.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.39 -41.23 80.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 111.192 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.19 37.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.515 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.98 129.15 37.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.02 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.3 t -105.86 137.91 42.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.081 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -60.23 -37.23 79.72 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.607 0.718 . . . . 0.0 109.621 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.642 HD21 ' HB2' ' A' ' 20' ' ' ALA . 54.9 t30 -163.83 116.53 1.44 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 12.7 t -53.08 -54.66 32.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.436 -177.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.353 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.642 ' HB2' HD21 ' A' ' 17' ' ' ASN . . . -60.92 -54.56 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.1 tt0 -59.24 -44.44 92.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.467 0.175 . . . . 0.0 111.166 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.33 -44.26 92.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.632 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -61.63 -42.16 98.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.28 178.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 24.7 mmm180 -57.76 -51.44 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.08 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.0 mtt180 -61.66 -34.17 75.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.286 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.27 22.51 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.76 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.44 151.4 22.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.78 -42.15 64.75 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.209 0.528 . . . . 0.0 110.238 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.0 -157.08 8.71 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.32 143.93 5.93 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.166 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -167.41 109.35 0.64 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.233 0.54 . . . . 0.0 111.065 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.837 ' HB3' ' HA ' ' A' ' 40' ' ' CYS . 4.6 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.146 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.588 HG11 ' HB2' ' A' ' 7' ' ' CYS . 6.8 t . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 122.31 1.052 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.656 ' HB3' HD12 ' A' ' 3' ' ' LEU . 62.0 m-80 -67.13 127.45 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.321 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.837 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 39.6 t -72.64 109.53 6.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.443 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 89.0 m95 -100.43 118.07 35.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.226 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.557 ' SG ' HG21 ' A' ' 4' ' ' ILE . 61.4 m -88.24 125.01 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.56 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.05 88.5 0.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.557 0.694 . . . . 0.0 109.461 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.951 -178.356 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 47.9 p-10 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.017 0.437 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.86 140.26 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 39' ' ' ASN . 52.3 tp -87.81 129.64 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.464 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.63 HG21 ' SG ' ' A' ' 42' ' ' CYS . 21.0 pt -113.05 -33.31 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.126 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.37 -156.34 15.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.133 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -100.78 140.31 35.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.268 0.556 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -97.44 -9.5 27.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.884 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 61.6 t -70.08 132.23 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.815 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -70.03 134.69 48.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.7 -11.98 62.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 8' ' ' VAL . . . -65.34 149.23 50.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.656 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.13 -46.72 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.95 0.405 . . . . 0.0 110.788 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.84 28.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.987 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -74.03 123.5 24.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' SER . 12.2 t -101.3 20.73 15.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.982 -178.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 15' ' ' THR . 13.1 t 69.03 -47.28 0.57 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.398 0.679 . . . . 0.0 112.238 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -156.38 117.0 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.83 -51.27 50.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -50.11 -45.18 52.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.241 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.872 0.368 . . . . 0.0 111.411 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.49 ' HG2' ' HD2' ' A' ' 25' ' ' ARG . 83.3 tt0 -67.92 -43.66 78.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.183 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.19 -48.2 82.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.818 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.64 -49.31 76.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -58.46 -49.82 75.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.22 0.533 . . . . 0.0 111.095 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HD2' ' HG2' ' A' ' 21' ' ' GLU . 17.5 mtt85 -59.37 -34.05 71.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.289 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.69 43.99 0.56 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.932 . . . . 0.0 113.178 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -114.8 162.55 16.72 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 110.218 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.37 -146.89 8.55 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.798 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.68 139.92 4.26 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -146.87 25.9 1.13 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 41' ' ' TRP . 47.7 m . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.762 0.315 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.706 ' HB3' HD13 ' A' ' 3' ' ' LEU . 4.6 m120 -92.91 141.5 28.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.235 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.64 79.88 5.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.917 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 32' ' ' CYS . 72.0 m95 -81.08 116.11 20.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.63 ' SG ' HG21 ' A' ' 4' ' ' ILE . 94.8 m -86.8 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.063 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.17 118.38 13.88 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.663 -178.34 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.572 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.683 ' HE2' HG23 ' A' ' 44' ' ' THR . 0.3 OUTLIER -88.4 137.28 32.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.588 HD12 ' HB3' ' A' ' 39' ' ' ASN . 57.0 tp -92.3 113.08 25.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.441 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.569 HG22 HH12 ' A' ' 25' ' ' ARG . 8.9 pt -103.15 -30.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.039 0.447 . . . . 0.0 110.288 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.52 -139.53 4.34 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.794 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 t -147.16 140.09 25.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 32.5 m -84.94 43.35 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.133 0.492 . . . . 0.0 110.676 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.75 135.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -80.68 54.5 2.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.456 0.646 . . . . 0.0 110.591 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.36 44.9 0.17 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.51 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.7 142.91 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.03 45.07 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.633 0.73 . . . . 0.0 110.63 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -163.07 30.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.976 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -81.36 128.42 33.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 18' ' ' CYS . 3.6 t -105.82 142.18 35.98 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 m -49.54 -46.61 48.83 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.544 0.688 . . . . 0.0 109.539 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.641 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 74.1 m-20 -149.2 129.56 13.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 44.8 t -59.18 -42.34 90.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.597 0.713 . . . . 0.0 110.405 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.722 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 2.3 t-20 -74.27 -47.41 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . . . -53.22 -55.72 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -55.12 -56.12 23.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.083 0.468 . . . . 0.0 111.44 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.707 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 96.6 m -64.16 -35.15 79.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.799 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -62.8 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -62.6 -46.73 86.95 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.492 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.707 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.45 -36.03 77.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.983 -179.215 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 51.75 0.39 Allowed Glycine 0 C--N 1.335 0.49 0 C-N-CA 120.203 -0.999 . . . . 0.0 115.121 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.722 ' OH ' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -113.92 -176.44 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.891 0.845 . . . . 0.0 110.433 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -79.84 -51.76 8.74 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 43' ' ' GLU . . . -175.99 161.9 30.67 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.396 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.51 159.75 27.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.563 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -144.58 5.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 17.6 t . . . . . 0 C--N 1.33 -0.264 0 O-C-N 123.355 0.409 . . . . 0.0 109.98 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.357 0.599 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.588 ' HB3' HD12 ' A' ' 3' ' ' LEU . 75.3 m-20 -71.22 145.5 49.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.148 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.502 ' SG ' HG12 ' A' ' 4' ' ' ILE . 3.7 t -81.26 106.18 13.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.806 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.572 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 96.3 m95 -100.29 115.85 30.9 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.241 0.543 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.659 ' HB2' ' HG3' ' A' ' 2' ' ' LYS . 52.0 m -104.11 128.43 51.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' GLY . 51.5 mt-10 -80.37 123.26 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.683 HG23 ' HE2' ' A' ' 2' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.628 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 65.2 m-20 . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.918 0.389 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -117.58 132.36 56.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.688 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 61.2 tp -81.99 109.37 16.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.524 HD13 ' SG ' ' A' ' 42' ' ' CYS . 33.1 pt -113.24 -27.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.527 ' HA2' ' HB3' ' A' ' 13' ' ' ASN . . . -164.31 -151.33 6.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.846 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 35.2 t -136.87 136.91 39.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.886 0.374 . . . . 0.0 110.758 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 40' ' ' CYS . 34.0 m -96.57 39.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.2 t -133.52 129.11 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -59.72 143.03 51.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.79 7.39 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 148.79 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.651 0.262 . . . . 0.0 110.95 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.93 -51.98 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.527 ' HB3' ' HA2' ' A' ' 5' ' ' GLY . 3.4 m120 -86.87 36.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -63.03 133.81 55.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.283 0.563 . . . . 0.0 112.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -157.14 123.83 5.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.454 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.3 p -80.31 -54.83 5.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.907 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.451 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -82.27 60.26 4.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 110.817 -179.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.8 t -53.88 -44.82 70.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.213 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.523 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -55.2 -49.91 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HB1' ' CG ' ' A' ' 17' ' ' ASN . . . -65.97 -41.86 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.449 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 21.4 tp10 -57.71 -50.94 71.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 110.169 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.88 -43.99 97.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.835 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.79 -40.13 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.194 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -63.64 -50.42 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.9 mtt180 -58.66 -39.18 79.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.63 43.43 0.19 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.164 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -117.28 164.68 14.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 44' ' ' THR . 88.9 mttt -58.47 -47.18 84.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.938 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.65 -147.2 5.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.515 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -168.07 141.97 7.16 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -150.56 1.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.818 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 45.2 m 57.27 30.68 18.85 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.458 0.17 . . . . 0.0 111.323 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.39 139.7 3.27 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.57 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 m -86.79 23.38 1.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -168.36 -52.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.38 60.82 4.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.818 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 13.8 p-10 -65.98 47.59 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 114.914 -1.039 . . . . 0.0 113.398 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 m -109.18 -37.59 3.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.108 0.48 . . . . 0.0 110.582 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.517 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 76.1 m-20 -101.54 149.72 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.318 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 38.5 t -80.94 87.95 5.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 94.5 m95 -89.56 112.49 23.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.905 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.628 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 99.8 m -73.28 125.67 28.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.44 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.33 120.05 12.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.073 0.464 . . . . 0.0 109.776 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.502 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 12.4 t . . . . . 0 C--O 1.255 1.359 0 CA-C-O 117.972 -1.013 . . . . 0.0 108.85 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.023 0.439 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -98.38 125.91 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.225 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD21 ' N ' ' A' ' 4' ' ' ILE . 4.5 tt -76.82 124.35 27.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.585 HG22 ' SG ' ' A' ' 42' ' ' CYS . 46.3 pt -116.31 -34.09 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.84 -138.07 2.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.03 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 8.8 t -129.7 151.13 50.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.799 0.333 . . . . 0.0 110.442 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -111.1 50.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.262 0.553 . . . . 0.0 110.661 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 43.6 t -120.56 130.51 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.077 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -67.35 126.64 29.9 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -25.15 29.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.302 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 8' ' ' VAL . . . -68.1 141.34 56.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.01 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 0.0 111.394 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.84 23.32 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' SER . 12.4 t80 -80.78 126.2 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 16' ' ' SER . 25.5 p -93.74 7.64 44.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 15' ' ' THR . 74.4 m 70.27 -44.94 0.58 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.426 0.69 . . . . 0.0 111.394 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 15' ' ' THR . 28.4 t30 -161.43 106.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.44 -43.46 93.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.878 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.543 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -52.35 -49.23 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.927 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.35 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.4 tp10 -55.92 -50.98 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.996 0.426 . . . . 0.0 110.645 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 85.1 m -64.25 -44.31 92.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 70.3 tttt -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -65.29 -50.21 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.633 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.0 mtt180 -56.25 -40.57 74.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.27 40.15 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' HD2' ' HB ' ' A' ' 44' ' ' THR . 23.8 m-85 -119.2 156.52 29.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -55.77 -42.55 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.257 0.348 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.49 -152.1 9.43 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.59 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.509 ' HA2' ' HG3' ' A' ' 43' ' ' GLU . . . -171.31 153.13 19.73 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -148.52 30.39 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.914 0.357 . . . . 0.0 110.829 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.2 m 57.29 -138.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.79 -139.86 7.09 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.878 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.9 m -163.85 -159.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.26 -29.29 68.69 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.636 HD11 ' H ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -66.62 -35.12 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.561 0.219 . . . . 0.0 111.526 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.636 ' H ' HD11 ' A' ' 36' ' ' LEU . 21.6 p30 -176.97 147.02 0.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.77 32.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -76.94 150.64 35.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.458 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 46.3 t -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -101.81 126.38 48.68 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.585 ' SG ' HG22 ' A' ' 4' ' ' ILE . 22.2 m -88.02 122.9 32.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.509 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 94.5 mt-10 -64.15 118.32 8.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 0.0 110.934 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.1 t . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.051 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 58.3 m-20 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.9 tptm -85.15 130.73 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.529 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 41.3 tp -91.02 122.27 33.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.484 0.183 . . . . 0.0 110.534 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.519 HD12 ' SG ' ' A' ' 22' ' ' CYS . 30.7 pt -113.17 -40.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.331 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.61 -135.9 1.93 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.15 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -133.17 145.42 50.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 56.3 m -92.88 -33.46 14.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.075 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.771 HG22 ' HA ' ' A' ' 38' ' ' VAL . 46.7 t -65.95 134.72 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.454 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . 14.3 t90 -73.76 110.59 8.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.43 46.45 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.17 148.63 25.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.194 . . . . 0.0 110.744 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.61 -50.78 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.726 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.96 46.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.652 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CE1' ' HA ' ' A' ' 9' ' ' TRP . 21.3 t80 -66.01 136.71 56.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -149.26 -56.87 0.2 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.1 m 67.83 -51.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.43 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.46 61.54 6.26 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.921 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -58.83 -46.91 86.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.393 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.473 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -51.82 -50.08 61.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.699 -179.172 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.59 72.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 3.6 tp10 -62.72 -53.13 59.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.106 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.519 ' SG ' HD12 ' A' ' 4' ' ' ILE . 42.6 m -61.78 -46.72 88.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.017 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -60.77 -41.37 95.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.607 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -59.39 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.441 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 96.5 mtt180 -57.77 -39.51 77.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.773 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.3 7.59 1.07 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.282 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' HD2' ' OG1' ' A' ' 44' ' ' THR . 77.5 m-85 -82.39 163.94 21.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.622 -0.34 . . . . 0.0 110.453 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -52.7 -49.36 65.48 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.642 0.589 . . . . 0.0 110.407 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.95 -138.11 3.1 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.826 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -166.96 143.31 8.21 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.09 -13.02 0.63 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 37' ' ' ASN . 13.7 t 55.17 48.03 20.41 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.633 0.73 . . . . 0.0 109.378 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.44 -136.4 17.82 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.123 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -153.14 -20.82 0.15 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.553 0.692 . . . . 0.0 110.415 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -152.64 133.52 14.04 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt 67.52 61.79 0.45 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.553 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 11.6 p30 -67.44 65.25 0.07 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.854 -178.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.771 ' HA ' HG22 ' A' ' 8' ' ' VAL . 15.6 m -85.03 -46.97 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.487 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.462 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 72.3 m-80 -97.5 133.42 42.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.724 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.48 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -73.11 83.27 1.3 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.529 ' CZ3' ' HB2' ' A' ' 3' ' ' LEU . 92.8 m95 -84.83 121.98 28.5 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.604 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 74.4 m -80.83 136.99 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' C ' ' HG1' ' A' ' 44' ' ' THR . 40.4 mt-10 -65.91 112.42 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.439 ' HG1' ' C ' ' A' ' 43' ' ' GLU . 90.1 m . . . . . 0 C--O 1.254 1.321 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.159 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.489 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 67.9 m-20 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.673 0.273 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -115.67 131.03 57.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.064 0.459 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.505 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 40.2 tp -78.85 128.14 32.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.524 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.593 HG23 ' SG ' ' A' ' 42' ' ' CYS . 41.1 pt -121.79 -38.29 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.753 0.311 . . . . 0.0 110.962 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' N ' HG13 ' A' ' 4' ' ' ILE . . . -170.65 -147.11 5.45 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.205 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 10.2 t -122.77 145.62 48.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.95 0.405 . . . . 0.0 110.403 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.24 -24.62 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.09 142.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.169 0.509 . . . . 0.0 111.647 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -68.49 148.25 50.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.319 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.01 -24.89 13.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.933 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.03 151.53 21.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.859 0.361 . . . . 0.0 111.476 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.52 -46.32 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -92.28 38.02 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.409 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.24 131.12 45.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.22 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t -105.54 142.12 35.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 m -60.63 -33.83 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.418 0.628 . . . . 0.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.76 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 17.5 t-20 -163.28 113.78 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 t -55.99 -51.07 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -46.98 86.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.76 ' HB2' ' HB3' ' A' ' 17' ' ' ASN . . . -64.38 -43.69 93.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 47.2 tp10 -59.7 -52.03 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.659 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.63 -44.26 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.951 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -59.55 -42.18 91.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.25 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -61.04 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.4 mtt180 -61.16 -35.49 77.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.412 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.78 46.06 0.18 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.294 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -126.86 166.49 17.36 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -61.37 -45.16 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.417 . . . . 0.0 110.435 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.18 9.84 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.645 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -149.46 136.22 5.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' HB3' ' A' ' 32' ' ' CYS . 34.7 m-70 -75.41 -40.55 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 31' ' ' HIS . 15.5 t 76.15 -37.91 0.32 Allowed 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.77 0.669 . . . . 0.0 109.75 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 31' ' ' HIS . . . 116.28 110.16 2.66 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.72 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 m -92.51 -33.61 14.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.856 0.836 . . . . 0.0 110.182 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -168.36 141.31 3.03 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.05 -1.432 . . . . 0.0 109.137 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 mt 55.43 30.56 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.683 0.614 . . . . 0.0 110.205 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -155.56 122.76 5.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.207 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.42 -32.88 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.505 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 75.0 m-20 -65.95 145.11 56.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.727 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.7 t -79.34 107.04 11.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.32 116.15 28.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.593 ' SG ' HG23 ' A' ' 4' ' ' ILE . 84.2 m -77.68 129.16 35.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.323 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 85.5 mt-10 -70.58 117.53 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.993 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.086 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 2.7 p30 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.914 0.388 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.835 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 50.1 tptt -148.42 122.8 9.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.168 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.05 100.74 13.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.652 HD13 HG22 ' A' ' 15' ' ' THR . 30.1 pt -85.61 -29.75 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.017 0.437 . . . . 0.0 110.465 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.38 -166.11 36.9 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.89 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -83.4 139.78 32.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.062 0.458 . . . . 0.0 110.718 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -88.92 -27.97 20.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.425 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' O ' HG11 ' A' ' 8' ' ' VAL . 9.9 p -88.15 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.109 0.481 . . . . 0.0 111.475 -179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -74.91 116.42 15.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.47 -47.18 0.42 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.34 151.91 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.333 . . . . 0.0 110.243 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.1 t -63.3 -40.48 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.284 0.564 . . . . 0.0 110.209 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.24 38.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.346 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -71.72 122.97 21.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.652 HG22 HD13 ' A' ' 4' ' ' ILE . 31.0 m -85.9 136.51 33.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.813 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -53.98 -48.06 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.167 0.508 . . . . 0.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -165.98 113.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.6 m -54.41 -57.62 10.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.101 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -47.04 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.398 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.02 -49.91 53.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 27.4 tt0 -64.77 -40.73 95.75 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.686 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.409 ' SG ' HD11 ' A' ' 4' ' ' ILE . 99.2 m -60.23 -45.65 92.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.975 0.416 . . . . 0.0 110.149 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.87 -38.6 88.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -61.67 -50.23 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' CZ ' HG22 ' A' ' 4' ' ' ILE . 73.8 mtt180 -61.43 -36.32 80.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.954 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.79 33.68 0.55 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.654 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -113.1 162.38 16.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . 41.2 mmtm -57.05 -43.44 82.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 0.0 110.464 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 -147.97 10.87 Favored Glycine 0 N--CA 1.442 -0.938 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.564 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.51 123.96 1.2 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -108.2 19.25 20.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.5 t 56.45 -121.74 1.61 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.566 ' HA3' ' HB2' ' A' ' 37' ' ' ASN . . . 167.63 -59.58 0.22 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.006 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.0 m 64.89 160.87 0.12 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 122.928 0.491 . . . . 0.0 112.031 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 13.4 t80 68.95 -61.93 0.41 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.468 0.707 . . . . 0.0 111.382 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' A' ' 35' ' ' PHE . 71.5 mt -120.55 -53.25 2.11 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.566 ' HB2' ' HA3' ' A' ' 33' ' ' GLY . 4.9 m120 -77.58 57.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.127 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -76.93 47.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.327 0.584 . . . . 0.0 111.019 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -145.69 153.85 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.147 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.578 ' SG ' ' HB ' ' A' ' 15' ' ' THR . 36.9 m -74.4 85.28 1.98 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.327 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -82.2 112.2 19.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.59 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.835 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 71.4 m -79.24 134.86 36.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.238 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 91.2 mt-10 -77.58 126.17 30.47 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 34.4 m-20 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -113.17 129.42 56.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 56.4 tp -72.96 127.73 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.13 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.57 HG23 ' SG ' ' A' ' 42' ' ' CYS . 36.1 pt -120.08 -33.53 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.083 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.43 -160.28 24.88 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.748 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -105.18 134.95 47.42 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.86 0.13 57.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.209 0.528 . . . . 0.0 109.938 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.722 HG23 ' HB ' ' A' ' 38' ' ' VAL . 91.2 t -87.49 130.66 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.424 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -75.16 63.25 1.29 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.332 0.587 . . . . 0.0 110.79 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.11 53.5 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.25 159.94 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.654 0.264 . . . . 0.0 110.89 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.54 134.26 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 65.55 57.6 0.86 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.939 0.876 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -76.08 139.38 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -148.63 125.14 11.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -106.42 -49.02 3.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.18 50.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.326 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.7 m -61.99 -46.25 90.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.884 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 16.2 t-20 -50.7 -45.6 58.46 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.171 0.294 . . . . 0.0 111.403 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.34 82.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.223 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -74.19 -41.17 61.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -57.36 -48.27 79.47 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 109.605 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -64.63 -39.89 94.5 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.375 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -60.04 -50.14 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.751 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.2 mtt180 -58.0 -39.07 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.011 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.91 32.19 1.22 Allowed Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.341 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -87.63 -172.87 4.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.987 0.393 . . . . 0.0 110.49 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.94 -43.06 72.38 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.87 -148.4 8.94 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.806 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -162.43 142.82 8.22 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.37 20.12 1.89 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.763 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 15.5 t 61.14 -119.25 0.76 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.536 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . -179.31 119.47 0.65 Allowed Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.8 t -161.71 43.65 0.15 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -149.3 78.82 1.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.087 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.2 mt 60.0 34.7 21.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.268 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -167.24 134.25 2.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.066 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.722 ' HB ' HG23 ' A' ' 8' ' ' VAL . 34.3 m -97.96 -21.85 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.949 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.431 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 61.7 m-80 -65.39 156.46 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.763 ' SG ' ' HA ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -93.87 126.66 39.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.638 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.746 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 56.5 m95 -120.45 134.32 55.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.57 ' SG ' HG23 ' A' ' 4' ' ' ILE . 57.1 m -82.24 128.84 34.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.35 130.02 44.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.415 0.626 . . . . 0.0 111.307 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.252 1.196 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.321 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.884 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 25.3 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -101.01 120.06 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.486 HD13 ' HB3' ' A' ' 39' ' ' ASN . 62.0 tp -75.64 123.26 25.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.627 0.251 . . . . 0.0 111.084 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.647 HG22 ' SG ' ' A' ' 42' ' ' CYS . 43.8 pt -120.92 -34.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.749 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.1 -150.42 6.19 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.597 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -127.2 131.84 50.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.744 0.307 . . . . 0.0 110.78 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.9 m -77.19 -31.71 55.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.794 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.603 HG12 HG21 ' A' ' 38' ' ' VAL . 12.7 p -71.48 139.77 19.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.431 0.634 . . . . 0.0 112.136 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -69.02 148.81 49.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.036 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.83 -39.68 2.77 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.322 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 145.85 49.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.57 0.224 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.82 -52.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.68 48.17 1.61 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.331 0.586 . . . . 0.0 111.003 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -67.6 133.76 49.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.438 HG21 ' SG ' ' A' ' 18' ' ' CYS . 1.1 t -159.21 116.76 2.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.969 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 t -116.69 42.28 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.833 0.825 . . . . 0.0 109.426 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.56 38.34 0.23 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 21' ' ' GLU . 63.8 m -67.43 -33.47 75.23 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.879 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.565 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -51.02 -44.7 61.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.609 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -73.0 -47.02 48.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.409 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 14.4 tp10 -55.35 -50.12 70.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.598 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.8 m -58.77 -43.76 90.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.396 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.87 -40.67 98.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 69.0 mtp85 -62.85 -50.44 70.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.695 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -56.69 -37.77 71.34 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.319 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.01 34.41 0.68 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.159 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-85 -104.78 -176.15 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 44' ' ' THR . 48.2 mmtm -71.79 -49.81 35.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.13 0.491 . . . . 0.0 109.701 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.3 -153.43 10.57 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.565 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -152.98 145.59 13.23 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -158.51 17.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 t 59.08 -138.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.689 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . 151.98 -139.34 7.01 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.588 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.6 m 71.88 155.54 0.15 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.153 0.581 . . . . 0.0 111.633 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -53.52 -38.14 63.46 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.095 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -135.77 31.14 3.07 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.473 -0.142 . . . . 0.0 110.646 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.689 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 22.1 t-20 63.8 119.93 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.901 0.751 . . . . 0.0 112.006 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.603 HG21 HG12 ' A' ' 8' ' ' VAL . 7.6 p -173.23 -42.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.486 ' HB3' HD13 ' A' ' 3' ' ' LEU . 72.8 m-20 -100.1 141.94 32.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.676 0.274 . . . . 0.0 110.711 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 120.09 28.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.884 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.0 m95 -116.16 126.17 53.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.666 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.647 ' SG ' HG22 ' A' ' 4' ' ' ILE . 93.8 m -89.71 134.53 34.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.107 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 24.5 mm-40 -73.65 135.37 43.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.45 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.9 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.087 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.938 0.399 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 2' ' ' LYS . 10.5 mmmm -86.78 133.54 33.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.656 HD12 ' HB3' ' A' ' 39' ' ' ASN . 44.6 tp -92.59 108.98 20.39 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.557 HG21 ' SG ' ' A' ' 42' ' ' CYS . 49.7 pt -101.05 -32.36 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.037 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.12 -140.1 3.06 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.077 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -148.99 151.86 35.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.802 0.334 . . . . 0.0 110.848 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.588 ' HB2' HG11 ' A' ' 38' ' ' VAL . 91.5 m -90.98 2.59 56.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.03 126.32 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.776 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -68.45 143.44 55.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.48 -36.18 4.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.874 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.13 141.89 58.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.39 -41.23 80.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 111.192 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.19 37.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.515 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.98 129.15 37.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.02 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.3 t -105.86 137.91 42.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.081 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -60.23 -37.23 79.72 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.607 0.718 . . . . 0.0 109.621 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.642 HD21 ' HB2' ' A' ' 20' ' ' ALA . 54.9 t30 -163.83 116.53 1.44 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 12.7 t -53.08 -54.66 32.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.436 -177.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.353 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.642 ' HB2' HD21 ' A' ' 17' ' ' ASN . . . -60.92 -54.56 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.1 tt0 -59.24 -44.44 92.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.467 0.175 . . . . 0.0 111.166 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.33 -44.26 92.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.632 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -61.63 -42.16 98.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.28 178.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 24.7 mmm180 -57.76 -51.44 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.08 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.0 mtt180 -61.66 -34.17 75.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.286 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.27 22.51 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.76 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.44 151.4 22.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.78 -42.15 64.75 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.209 0.528 . . . . 0.0 110.238 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.0 -157.08 8.71 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.32 143.93 5.93 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.166 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -167.41 109.35 0.64 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.233 0.54 . . . . 0.0 111.065 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.837 ' HB3' ' HA ' ' A' ' 40' ' ' CYS . 4.6 p -64.23 131.98 48.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.146 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.475 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -128.11 -147.82 6.63 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m 53.12 61.8 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -34.19 -30.87 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -177.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.426 ' HA ' HD21 ' A' ' 36' ' ' LEU . 63.8 mt -68.25 -43.36 78.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.341 0.519 . . . . 0.0 111.888 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 14.0 t-20 -106.93 -29.9 9.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.8 0.333 . . . . 0.0 111.2 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.588 HG11 ' HB2' ' A' ' 7' ' ' CYS . 6.8 t 66.8 48.23 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 122.31 1.052 . . . . 0.0 110.613 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.656 ' HB3' HD12 ' A' ' 3' ' ' LEU . 62.0 m-80 -67.13 127.45 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.321 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.837 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 39.6 t -72.64 109.53 6.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.443 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 89.0 m95 -100.43 118.07 35.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.226 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.557 ' SG ' HG21 ' A' ' 4' ' ' ILE . 61.4 m -88.24 125.01 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.56 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.05 88.5 0.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.557 0.694 . . . . 0.0 109.461 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.951 -178.356 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 47.9 p-10 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.017 0.437 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.86 140.26 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.706 HD13 ' HB3' ' A' ' 39' ' ' ASN . 52.3 tp -87.81 129.64 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.464 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.63 HG21 ' SG ' ' A' ' 42' ' ' CYS . 21.0 pt -113.05 -33.31 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.126 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.37 -156.34 15.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.133 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -100.78 140.31 35.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.268 0.556 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 37' ' ' ASN . 46.8 t -97.44 -9.5 27.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.884 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 61.6 t -70.08 132.23 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.815 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -70.03 134.69 48.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.7 -11.98 62.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 8' ' ' VAL . . . -65.34 149.23 50.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.656 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.13 -46.72 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.95 0.405 . . . . 0.0 110.788 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.84 28.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.987 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -74.03 123.5 24.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' SER . 12.2 t -101.3 20.73 15.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.982 -178.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 15' ' ' THR . 13.1 t 69.03 -47.28 0.57 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.398 0.679 . . . . 0.0 112.238 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -156.38 117.0 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.83 -51.27 50.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -50.11 -45.18 52.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.241 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.872 0.368 . . . . 0.0 111.411 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.49 ' HG2' ' HD2' ' A' ' 25' ' ' ARG . 83.3 tt0 -67.92 -43.66 78.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.183 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.19 -48.2 82.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.818 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.64 -49.31 76.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -58.46 -49.82 75.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.22 0.533 . . . . 0.0 111.095 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HD2' ' HG2' ' A' ' 21' ' ' GLU . 17.5 mtt85 -59.37 -34.05 71.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.289 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.69 43.99 0.56 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.932 . . . . 0.0 113.178 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -114.8 162.55 16.72 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 110.218 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.37 -146.89 8.55 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.798 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.68 139.92 4.26 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -146.87 25.9 1.13 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 41' ' ' TRP . 47.7 m 58.56 -144.7 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' HA3' ' HD1' ' A' ' 41' ' ' TRP . . . 159.36 -150.01 20.2 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.676 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.4 t 69.44 -139.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -76.26 -48.66 19.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -151.28 66.85 0.9 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.774 0.321 . . . . 0.0 111.733 -178.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.496 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . 4.5 m120 60.98 51.45 4.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 110.237 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.7 t -86.91 -59.7 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.649 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.706 ' HB3' HD13 ' A' ' 3' ' ' LEU . 4.6 m120 -92.91 141.5 28.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.235 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.64 79.88 5.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.917 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 32' ' ' CYS . 72.0 m95 -81.08 116.11 20.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.63 ' SG ' HG21 ' A' ' 4' ' ' ILE . 94.8 m -86.8 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.063 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.17 118.38 13.88 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.663 -178.34 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.572 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.683 ' HE2' HG23 ' A' ' 44' ' ' THR . 0.3 OUTLIER -88.4 137.28 32.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.588 HD12 ' HB3' ' A' ' 39' ' ' ASN . 57.0 tp -92.3 113.08 25.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.441 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.569 HG22 HH12 ' A' ' 25' ' ' ARG . 8.9 pt -103.15 -30.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.039 0.447 . . . . 0.0 110.288 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.52 -139.53 4.34 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.794 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 t -147.16 140.09 25.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 32.5 m -84.94 43.35 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.133 0.492 . . . . 0.0 110.676 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.75 135.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -80.68 54.5 2.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.456 0.646 . . . . 0.0 110.591 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.36 44.9 0.17 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.51 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.7 142.91 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.03 45.07 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.633 0.73 . . . . 0.0 110.63 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -163.07 30.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.976 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -81.36 128.42 33.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 18' ' ' CYS . 3.6 t -105.82 142.18 35.98 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 m -49.54 -46.61 48.83 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.544 0.688 . . . . 0.0 109.539 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.641 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 74.1 m-20 -149.2 129.56 13.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 44.8 t -59.18 -42.34 90.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.597 0.713 . . . . 0.0 110.405 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.722 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 2.3 t-20 -74.27 -47.41 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.641 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . . . -53.22 -55.72 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -55.12 -56.12 23.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.083 0.468 . . . . 0.0 111.44 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.707 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 96.6 m -64.16 -35.15 79.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.799 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.5 tptm -62.8 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -62.6 -46.73 86.95 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.492 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.707 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.45 -36.03 77.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.983 -179.215 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 51.75 0.39 Allowed Glycine 0 C--N 1.335 0.49 0 C-N-CA 120.203 -0.999 . . . . 0.0 115.121 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.722 ' OH ' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -113.92 -176.44 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.891 0.845 . . . . 0.0 110.433 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -79.84 -51.76 8.74 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 43' ' ' GLU . . . -175.99 161.9 30.67 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.396 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.51 159.75 27.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.563 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -144.58 5.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 17.6 t 53.05 -122.91 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.355 0.409 . . . . 0.0 109.98 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.16 143.02 14.12 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.762 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -156.29 37.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.346 0.593 . . . . 0.0 110.075 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -171.29 73.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.2 mt 73.96 -43.81 0.55 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.07 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -69.06 129.79 40.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.858 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.2 m -107.58 -5.3 10.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.357 0.599 . . . . 0.0 110.354 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.588 ' HB3' HD12 ' A' ' 3' ' ' LEU . 75.3 m-20 -71.22 145.5 49.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.148 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.502 ' SG ' HG12 ' A' ' 4' ' ' ILE . 3.7 t -81.26 106.18 13.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.806 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.572 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 96.3 m95 -100.29 115.85 30.9 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.241 0.543 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.659 ' HB2' ' HG3' ' A' ' 2' ' ' LYS . 52.0 m -104.11 128.43 51.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' GLY . 51.5 mt-10 -80.37 123.26 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.683 HG23 ' HE2' ' A' ' 2' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.634 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 65.2 m-20 . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.918 0.389 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -117.58 132.36 56.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.688 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 61.2 tp -81.99 109.37 16.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.1 pt -113.24 -27.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.563 ' HA2' ' HB3' ' A' ' 13' ' ' ASN . . . -164.31 -151.33 6.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.846 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 35.2 t -136.87 136.91 39.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.886 0.374 . . . . 0.0 110.758 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 40' ' ' CYS . 34.0 m -96.57 39.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.2 t -133.52 129.11 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -59.72 143.03 51.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.79 7.39 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 148.79 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.651 0.262 . . . . 0.0 110.95 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.93 -51.98 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.563 ' HB3' ' HA2' ' A' ' 5' ' ' GLY . 3.4 m120 -86.87 36.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -63.03 133.81 55.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.283 0.563 . . . . 0.0 112.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -157.14 123.83 5.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.454 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.3 p -80.31 -54.83 5.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.907 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -82.27 60.26 4.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 110.817 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.8 t -53.88 -44.82 70.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.213 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.513 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 56.4 t-20 -55.2 -49.91 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.86 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.449 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 21.4 tp10 -57.71 -50.94 71.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 110.169 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.88 -43.99 97.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.835 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.79 -40.13 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.194 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -63.64 -50.42 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.9 mtt180 -58.66 -39.18 79.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.63 43.43 0.19 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.164 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -117.28 164.68 14.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HD2' ' HA ' ' A' ' 44' ' ' THR . 88.9 mttt -58.47 -47.18 84.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.938 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.65 -147.2 5.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.515 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -168.07 141.97 7.16 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -150.56 1.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.559 ' HA ' ' H ' ' A' ' 41' ' ' TRP . 45.2 m . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 120.458 0.17 . . . . 0.0 111.323 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.108 0.48 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.531 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 76.1 m-20 -101.54 149.72 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.318 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 38.5 t -80.94 87.95 5.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.559 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 94.5 m95 -89.56 112.49 23.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.905 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 99.8 m -73.28 125.67 28.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.44 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.33 120.05 12.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.073 0.464 . . . . 0.0 109.776 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.483 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 12.4 t . . . . . 0 C--O 1.255 1.359 0 CA-C-O 117.972 -1.013 . . . . 0.0 108.85 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 79.7 m-20 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.023 0.439 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -98.38 125.91 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.225 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tt -76.82 124.35 27.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.517 HD13 ' SG ' ' A' ' 42' ' ' CYS . 46.3 pt -116.31 -34.09 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.84 -138.07 2.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.03 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 8.8 t -129.7 151.13 50.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.799 0.333 . . . . 0.0 110.442 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -111.1 50.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.262 0.553 . . . . 0.0 110.661 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.56 130.51 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.077 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -67.35 126.64 29.9 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -25.15 29.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.302 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.1 141.34 56.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.01 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 0.0 111.394 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -84.84 23.32 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' SER . 12.4 t80 -80.78 126.2 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 16' ' ' SER . 25.5 p -93.74 7.64 44.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' CE2' ' A' ' 14' ' ' TYR . 74.4 m 70.27 -44.94 0.58 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.426 0.69 . . . . 0.0 111.394 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -161.43 106.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.44 -43.46 93.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.878 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 50.8 t-20 -52.35 -49.23 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.927 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.35 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.4 tp10 -55.92 -50.98 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.996 0.426 . . . . 0.0 110.645 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 85.1 m -64.25 -44.31 92.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 70.3 tttt -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -65.29 -50.21 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.633 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.0 mtt180 -56.25 -40.57 74.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.27 40.15 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.54 ' HD2' ' HB ' ' A' ' 44' ' ' THR . 23.8 m-85 -119.2 156.52 29.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -55.77 -42.55 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.257 0.348 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.49 -152.1 9.43 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.59 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' HA2' ' HG3' ' A' ' 43' ' ' GLU . . . -171.31 153.13 19.73 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -148.52 30.39 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.914 0.357 . . . . 0.0 110.829 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.328 -0.365 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.017 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.235 0.298 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -76.94 150.64 35.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.458 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 4' ' ' ILE . 46.3 t -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 93.5 m95 -101.81 126.38 48.68 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.517 ' SG ' HD13 ' A' ' 4' ' ' ILE . 22.2 m -88.02 122.9 32.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 94.5 mt-10 -64.15 118.32 8.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 0.0 110.934 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.1 t . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.051 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 58.3 m-20 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.613 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.9 tptm -85.15 130.73 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 41.3 tp -91.02 122.27 33.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.484 0.183 . . . . 0.0 110.534 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.5 HG13 ' HB3' ' A' ' 40' ' ' CYS . 30.7 pt -113.17 -40.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.331 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.61 -135.9 1.93 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.15 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -133.17 145.42 50.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 40' ' ' CYS . 56.3 m -92.88 -33.46 14.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.075 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.676 HG23 ' HA ' ' A' ' 38' ' ' VAL . 46.7 t -65.95 134.72 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.46 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . 14.3 t90 -73.76 110.59 8.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.43 46.45 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.17 148.63 25.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.194 . . . . 0.0 110.744 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.61 -50.78 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.726 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -79.96 46.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.652 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 9' ' ' TRP . 21.3 t80 -66.01 136.71 56.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -149.26 -56.87 0.2 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.1 m 67.83 -51.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.43 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.46 61.54 6.26 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.921 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -58.83 -46.91 86.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.393 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.461 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 47.1 t-20 -51.82 -50.08 61.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.699 -179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.59 72.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 3.6 tp10 -62.72 -53.13 59.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.106 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.6 m -61.78 -46.72 88.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.017 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -60.77 -41.37 95.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.607 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -59.39 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.441 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 96.5 mtt180 -57.77 -39.51 77.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.773 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.3 7.59 1.07 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.282 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' HD2' ' OG1' ' A' ' 44' ' ' THR . 77.5 m-85 -82.39 163.94 21.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.622 -0.34 . . . . 0.0 110.453 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -52.7 -49.36 65.48 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.642 0.589 . . . . 0.0 110.407 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.95 -138.11 3.1 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.826 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -166.96 143.31 8.21 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.09 -13.02 0.63 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.577 ' HA ' ' H ' ' A' ' 41' ' ' TRP . 13.7 t . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 121.633 0.73 . . . . 0.0 109.378 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.676 ' HA ' HG23 ' A' ' 8' ' ' VAL . 15.6 m . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.594 0.235 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.479 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 72.3 m-80 -97.5 133.42 42.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.724 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.5 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -73.11 83.27 1.3 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.577 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 92.8 m95 -84.83 121.98 28.5 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 74.4 m -80.83 136.99 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.91 112.42 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' OG1' ' HD2' ' A' ' 27' ' ' TYR . 90.1 m . . . . . 0 C--O 1.254 1.321 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.159 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 67.9 m-20 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.673 0.273 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -115.67 131.03 57.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.064 0.459 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.513 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 40.2 tp -78.85 128.14 32.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.524 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 5' ' ' GLY . 41.1 pt -121.79 -38.29 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.753 0.311 . . . . 0.0 110.962 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 4' ' ' ILE . . . -170.65 -147.11 5.45 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.205 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 10.2 t -122.77 145.62 48.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.95 0.405 . . . . 0.0 110.403 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.24 -24.62 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.09 142.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.169 0.509 . . . . 0.0 111.647 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -68.49 148.25 50.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.319 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.01 -24.89 13.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.933 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.03 151.53 21.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.859 0.361 . . . . 0.0 111.476 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.52 -46.32 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -92.28 38.02 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.409 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.24 131.12 45.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.22 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t -105.54 142.12 35.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 m -60.63 -33.83 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.418 0.628 . . . . 0.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.747 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 17.5 t-20 -163.28 113.78 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 t -55.99 -51.07 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -62.05 -46.98 86.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -64.38 -43.69 93.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 47.2 tp10 -59.7 -52.03 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.659 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.63 -44.26 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.951 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -59.55 -42.18 91.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.25 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -61.04 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.4 mtt180 -61.16 -35.49 77.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.412 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.78 46.06 0.18 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.294 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -126.86 166.49 17.36 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . 58.6 mttp -61.37 -45.16 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.417 . . . . 0.0 110.435 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.18 9.84 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.645 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -149.46 136.22 5.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' HB3' ' A' ' 32' ' ' CYS . 34.7 m-70 -75.41 -40.55 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 31' ' ' HIS . 15.5 t . . . . . 0 N--CA 1.471 0.619 0 O-C-N 123.77 0.669 . . . . 0.0 109.75 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.513 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 75.0 m-20 -65.95 145.11 56.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.727 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' SG ' HD11 ' A' ' 4' ' ' ILE . 34.7 t -79.34 107.04 11.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.32 116.15 28.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 84.2 m -77.68 129.16 35.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.323 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 85.5 mt-10 -70.58 117.53 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.993 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.086 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 2.7 p30 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.914 0.388 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.846 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 50.1 tptt -148.42 122.8 9.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.168 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.05 100.74 13.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.1 pt -85.61 -29.75 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.017 0.437 . . . . 0.0 110.465 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.38 -166.11 36.9 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.89 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -83.4 139.78 32.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.062 0.458 . . . . 0.0 110.718 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -88.92 -27.97 20.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.425 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -88.15 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.109 0.481 . . . . 0.0 111.475 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -74.91 116.42 15.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.47 -47.18 0.42 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.34 151.91 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.333 . . . . 0.0 110.243 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.1 t -63.3 -40.48 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.284 0.564 . . . . 0.0 110.209 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.24 38.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.346 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -71.72 122.97 21.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.58 ' HB ' ' SG ' ' A' ' 40' ' ' CYS . 31.0 m -85.9 136.51 33.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.813 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -53.98 -48.06 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.167 0.508 . . . . 0.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -165.98 113.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.6 m -54.41 -57.62 10.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.101 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -51.53 -47.04 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.398 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.02 -49.91 53.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 27.4 tt0 -64.77 -40.73 95.75 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.686 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 99.2 m -60.23 -45.65 92.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.975 0.416 . . . . 0.0 110.149 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.87 -38.6 88.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -61.67 -50.23 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 73.8 mtt180 -61.43 -36.32 80.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.954 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.79 33.68 0.55 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.654 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -113.1 162.38 16.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . 41.2 mmtm -57.05 -43.44 82.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 0.0 110.464 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 -147.97 10.87 Favored Glycine 0 N--CA 1.442 -0.938 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.564 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.51 123.96 1.2 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -108.2 19.25 20.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.813 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.327 0.584 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -145.69 153.85 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.147 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' HB ' ' A' ' 15' ' ' THR . 36.9 m -74.4 85.28 1.98 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.327 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -82.2 112.2 19.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.59 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.846 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 71.4 m -79.24 134.86 36.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.238 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 91.2 mt-10 -77.58 126.17 30.47 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 34.4 m-20 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -113.17 129.42 56.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 56.4 tp -72.96 127.73 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.13 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 18' ' ' CYS . 36.1 pt -120.08 -33.53 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.083 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.43 -160.28 24.88 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.748 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -105.18 134.95 47.42 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.86 0.13 57.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.209 0.528 . . . . 0.0 109.938 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.603 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 91.2 t -87.49 130.66 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.424 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -75.16 63.25 1.29 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.332 0.587 . . . . 0.0 110.79 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.11 53.5 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.25 159.94 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.654 0.264 . . . . 0.0 110.89 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.54 134.26 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 65.55 57.6 0.86 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.939 0.876 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -76.08 139.38 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -148.63 125.14 11.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -106.42 -49.02 3.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.18 50.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.326 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.681 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.7 m -61.99 -46.25 90.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.884 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 16.2 t-20 -50.7 -45.6 58.46 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.171 0.294 . . . . 0.0 111.403 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.34 82.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.223 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -74.19 -41.17 61.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -57.36 -48.27 79.47 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 109.605 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -64.63 -39.89 94.5 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.375 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -60.04 -50.14 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.751 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.2 mtt180 -58.0 -39.07 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.011 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.91 32.19 1.22 Allowed Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.341 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -87.63 -172.87 4.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.987 0.393 . . . . 0.0 110.49 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.94 -43.06 72.38 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.87 -148.4 8.94 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.806 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -162.43 142.82 8.22 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.37 20.12 1.89 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.78 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 15.5 t . . . . . 0 C--N 1.323 -0.561 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.603 ' HB ' ' CG2' ' A' ' 8' ' ' VAL . 34.3 m . . . . . 0 C--O 1.236 0.352 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 61.7 m-80 -65.39 156.46 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.78 ' SG ' ' HA ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -93.87 126.66 39.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.638 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 56.5 m95 -120.45 134.32 55.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' SG ' HD13 ' A' ' 4' ' ' ILE . 57.1 m -82.24 128.84 34.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.35 130.02 44.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.415 0.626 . . . . 0.0 111.307 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.252 1.196 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.321 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.871 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 25.3 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -101.01 120.06 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 39' ' ' ASN . 62.0 tp -75.64 123.26 25.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.627 0.251 . . . . 0.0 111.084 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.428 HD13 ' SG ' ' A' ' 42' ' ' CYS . 43.8 pt -120.92 -34.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.749 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.1 -150.42 6.19 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.597 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -127.2 131.84 50.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.744 0.307 . . . . 0.0 110.78 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.9 m -77.19 -31.71 55.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.794 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -71.48 139.77 19.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.431 0.634 . . . . 0.0 112.136 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -69.02 148.81 49.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.036 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.83 -39.68 2.77 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.322 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 145.85 49.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.57 0.224 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.82 -52.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.6 p30 -87.68 48.17 1.61 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.331 0.586 . . . . 0.0 111.003 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -67.6 133.76 49.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 t -159.21 116.76 2.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.969 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 t -116.69 42.28 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.833 0.825 . . . . 0.0 109.426 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -158.56 38.34 0.23 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.487 ' HA ' ' HB3' ' A' ' 21' ' ' GLU . 63.8 m -67.43 -33.47 75.23 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.879 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.558 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 58.9 t-20 -51.02 -44.7 61.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -73.0 -47.02 48.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.409 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 14.4 tp10 -55.35 -50.12 70.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.598 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.8 m -58.77 -43.76 90.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.396 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.87 -40.67 98.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 69.0 mtp85 -62.85 -50.44 70.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.695 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -56.69 -37.77 71.34 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.319 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.01 34.41 0.68 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.159 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-85 -104.78 -176.15 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 44' ' ' THR . 48.2 mmtm -71.79 -49.81 35.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.13 0.491 . . . . 0.0 109.701 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.3 -153.43 10.57 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.558 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -152.98 145.59 13.23 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -158.51 17.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 t . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -178.4 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.744 0.307 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.517 ' HB3' HD13 ' A' ' 3' ' ' LEU . 72.8 m-20 -100.1 141.94 32.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.676 0.274 . . . . 0.0 110.711 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 120.09 28.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.871 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.0 m95 -116.16 126.17 53.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.666 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 93.8 m -89.71 134.53 34.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.107 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 24.5 mm-40 -73.65 135.37 43.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.9 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.087 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.938 0.399 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -86.78 133.54 33.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 39' ' ' ASN . 44.6 tp -92.59 108.98 20.39 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.527 HD13 ' SG ' ' A' ' 42' ' ' CYS . 49.7 pt -101.05 -32.36 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.037 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.12 -140.1 3.06 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.077 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -148.99 151.86 35.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.802 0.334 . . . . 0.0 110.848 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.45 ' HB2' HG12 ' A' ' 38' ' ' VAL . 91.5 m -90.98 2.59 56.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.609 HG23 ' HB ' ' A' ' 38' ' ' VAL . 70.5 t -82.03 126.32 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.776 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -68.45 143.44 55.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.48 -36.18 4.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.874 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.13 141.89 58.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.39 -41.23 80.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 111.192 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.3 p30 -89.19 37.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.515 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.98 129.15 37.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.02 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.3 t -105.86 137.91 42.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.081 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -60.23 -37.23 79.72 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.607 0.718 . . . . 0.0 109.621 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -163.83 116.53 1.44 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 12.7 t -53.08 -54.66 32.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.436 -177.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.353 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -60.92 -54.56 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.1 tt0 -59.24 -44.44 92.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.467 0.175 . . . . 0.0 111.166 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.33 -44.26 92.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.646 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -61.63 -42.16 98.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.28 178.848 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 24.7 mmm180 -57.76 -51.44 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.08 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.0 mtt180 -61.66 -34.17 75.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.286 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.27 22.51 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.76 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.44 151.4 22.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.78 -42.15 64.75 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.209 0.528 . . . . 0.0 110.238 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.0 -157.08 8.71 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.32 143.93 5.93 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.166 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -167.41 109.35 0.64 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.233 0.54 . . . . 0.0 111.065 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.854 ' HB3' ' HA ' ' A' ' 40' ' ' CYS . 4.6 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.146 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.609 ' HB ' HG23 ' A' ' 8' ' ' VAL . 6.8 t . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 122.31 1.052 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.591 ' HB3' HD13 ' A' ' 3' ' ' LEU . 62.0 m-80 -67.13 127.45 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.321 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.854 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 39.6 t -72.64 109.53 6.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.44 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 89.0 m95 -100.43 118.07 35.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.226 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.527 ' SG ' HD13 ' A' ' 4' ' ' ILE . 61.4 m -88.24 125.01 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.56 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.05 88.5 0.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.557 0.694 . . . . 0.0 109.461 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.951 -178.356 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 47.9 p-10 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.017 0.437 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.86 140.26 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 39' ' ' ASN . 52.3 tp -87.81 129.64 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.464 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.408 HD12 ' OE1' ' A' ' 21' ' ' GLU . 21.0 pt -113.05 -33.31 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.126 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.37 -156.34 15.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.133 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -100.78 140.31 35.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.268 0.556 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -97.44 -9.5 27.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.884 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -70.08 132.23 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.815 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -70.03 134.69 48.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.7 -11.98 62.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.34 149.23 50.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.656 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.13 -46.72 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.95 0.405 . . . . 0.0 110.788 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.84 28.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.987 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -74.03 123.5 24.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 16' ' ' SER . 12.2 t -101.3 20.73 15.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.982 -178.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 15' ' ' THR . 13.1 t 69.03 -47.28 0.57 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.398 0.679 . . . . 0.0 112.238 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -156.38 117.0 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.83 -51.27 50.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -50.11 -45.18 52.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.241 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.872 0.368 . . . . 0.0 111.411 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' HG2' ' HD2' ' A' ' 25' ' ' ARG . 83.3 tt0 -67.92 -43.66 78.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.183 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.19 -48.2 82.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.818 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.64 -49.31 76.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -58.46 -49.82 75.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.22 0.533 . . . . 0.0 111.095 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HD2' ' HG2' ' A' ' 21' ' ' GLU . 17.5 mtt85 -59.37 -34.05 71.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.289 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.69 43.99 0.56 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.932 . . . . 0.0 113.178 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -114.8 162.55 16.72 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 110.218 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.37 -146.89 8.55 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.798 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.68 139.92 4.26 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -146.87 25.9 1.13 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 41' ' ' TRP . 47.7 m . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.762 0.315 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.667 ' HB3' HD13 ' A' ' 3' ' ' LEU . 4.6 m120 -92.91 141.5 28.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.235 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.64 79.88 5.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.917 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 39' ' ' ASN . 72.0 m95 -81.08 116.11 20.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 94.8 m -86.8 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.063 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.17 118.38 13.88 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.663 -178.34 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.694 ' HG3' ' HB2' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -88.4 137.28 32.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.552 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 57.0 tp -92.3 113.08 25.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.441 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.503 HG12 ' SG ' ' A' ' 40' ' ' CYS . 8.9 pt -103.15 -30.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.039 0.447 . . . . 0.0 110.288 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.52 -139.53 4.34 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.794 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 36.0 t -147.16 140.09 25.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 32.5 m -84.94 43.35 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.133 0.492 . . . . 0.0 110.676 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.75 135.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -80.68 54.5 2.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.456 0.646 . . . . 0.0 110.591 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.36 44.9 0.17 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.51 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.7 142.91 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.03 45.07 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.633 0.73 . . . . 0.0 110.63 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -163.07 30.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.976 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 6' ' ' SER . 51.5 t80 -81.36 128.42 33.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -105.82 142.18 35.98 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 m -49.54 -46.61 48.83 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.544 0.688 . . . . 0.0 109.539 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.739 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 74.1 m-20 -149.2 129.56 13.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 44.8 t -59.18 -42.34 90.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.597 0.713 . . . . 0.0 110.405 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.73 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 45.5 t30 -74.27 -47.41 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . . . -53.22 -55.72 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -55.12 -56.12 23.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.083 0.468 . . . . 0.0 111.44 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.704 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 96.6 m -64.16 -35.15 79.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.799 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 18.5 tptm -62.8 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -62.6 -46.73 86.95 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.492 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.704 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.45 -36.03 77.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.983 -179.215 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 51.75 0.39 Allowed Glycine 0 C--N 1.335 0.49 0 C-N-CA 120.203 -0.999 . . . . 0.0 115.121 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.73 ' OH ' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -113.92 -176.44 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.891 0.845 . . . . 0.0 110.433 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -79.84 -51.76 8.74 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 43' ' ' GLU . . . -175.99 161.9 30.67 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.396 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.51 159.75 27.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.563 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -144.58 5.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 17.6 t . . . . . 0 C--N 1.33 -0.264 0 O-C-N 123.355 0.409 . . . . 0.0 109.98 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.357 0.599 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 75.3 m-20 -71.22 145.5 49.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.148 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.503 ' SG ' HG12 ' A' ' 4' ' ' ILE . 3.7 t -81.26 106.18 13.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.806 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 96.3 m95 -100.29 115.85 30.9 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.241 0.543 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.694 ' HB2' ' HG3' ' A' ' 2' ' ' LYS . 52.0 m -104.11 128.43 51.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' GLY . 51.5 mt-10 -80.37 123.26 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.484 ' CG2' ' HE2' ' A' ' 2' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.634 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 65.2 m-20 . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.918 0.389 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -117.58 132.36 56.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.688 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 61.2 tp -81.99 109.37 16.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.1 pt -113.24 -27.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.563 ' HA2' ' HB3' ' A' ' 13' ' ' ASN . . . -164.31 -151.33 6.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.846 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 35.2 t -136.87 136.91 39.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.886 0.374 . . . . 0.0 110.758 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 40' ' ' CYS . 34.0 m -96.57 39.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.2 t -133.52 129.11 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -59.72 143.03 51.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.79 7.39 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 148.79 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.651 0.262 . . . . 0.0 110.95 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.93 -51.98 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.563 ' HB3' ' HA2' ' A' ' 5' ' ' GLY . 3.4 m120 -86.87 36.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -63.03 133.81 55.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.283 0.563 . . . . 0.0 112.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -157.14 123.83 5.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.454 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.3 p -80.31 -54.83 5.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.907 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -82.27 60.26 4.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 110.817 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.8 t -53.88 -44.82 70.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.213 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.513 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 56.4 t-20 -55.2 -49.91 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.86 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.449 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 21.4 tp10 -57.71 -50.94 71.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 110.169 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.88 -43.99 97.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.835 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.79 -40.13 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.194 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -63.64 -50.42 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.9 mtt180 -58.66 -39.18 79.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.63 43.43 0.19 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.164 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -117.28 164.68 14.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HD2' ' HA ' ' A' ' 44' ' ' THR . 88.9 mttt -58.47 -47.18 84.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.938 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.65 -147.2 5.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.515 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -168.07 141.97 7.16 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -150.56 1.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.826 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 45.2 m 57.27 30.68 18.85 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.458 0.17 . . . . 0.0 111.323 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.39 139.7 3.27 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.57 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 m -86.79 23.38 1.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -168.36 -52.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.38 60.82 4.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.826 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 13.8 p-10 -65.98 47.59 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 114.914 -1.039 . . . . 0.0 113.398 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 m -109.18 -37.59 3.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.108 0.48 . . . . 0.0 110.582 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.531 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 76.1 m-20 -101.54 149.72 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.318 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 38.5 t -80.94 87.95 5.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.559 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 94.5 m95 -89.56 112.49 23.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.905 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 99.8 m -73.28 125.67 28.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.44 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.33 120.05 12.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.073 0.464 . . . . 0.0 109.776 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.483 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 12.4 t . . . . . 0 C--O 1.255 1.359 0 CA-C-O 117.972 -1.013 . . . . 0.0 108.85 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 79.7 m-20 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.023 0.439 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -98.38 125.91 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.225 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.5 HD21 HD22 ' A' ' 39' ' ' ASN . 4.5 tt -76.82 124.35 27.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.517 HD13 ' SG ' ' A' ' 42' ' ' CYS . 46.3 pt -116.31 -34.09 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.84 -138.07 2.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.03 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 8.8 t -129.7 151.13 50.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.799 0.333 . . . . 0.0 110.442 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -111.1 50.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.262 0.553 . . . . 0.0 110.661 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.56 130.51 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.077 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -67.35 126.64 29.9 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -25.15 29.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.302 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.1 141.34 56.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.01 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 0.0 111.394 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -84.84 23.32 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' SER . 12.4 t80 -80.78 126.2 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 16' ' ' SER . 25.5 p -93.74 7.64 44.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' CE2' ' A' ' 14' ' ' TYR . 74.4 m 70.27 -44.94 0.58 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.426 0.69 . . . . 0.0 111.394 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -161.43 106.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.44 -43.46 93.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.878 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 50.8 t-20 -52.35 -49.23 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.927 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.35 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.4 tp10 -55.92 -50.98 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.996 0.426 . . . . 0.0 110.645 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 85.1 m -64.25 -44.31 92.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 70.3 tttt -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -65.29 -50.21 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.633 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.0 mtt180 -56.25 -40.57 74.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.27 40.15 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.54 ' HD2' ' HB ' ' A' ' 44' ' ' THR . 23.8 m-85 -119.2 156.52 29.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -55.77 -42.55 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.257 0.348 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.49 -152.1 9.43 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.59 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' HA2' ' HG3' ' A' ' 43' ' ' GLU . . . -171.31 153.13 19.73 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -148.52 30.39 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.914 0.357 . . . . 0.0 110.829 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.2 m 57.29 -138.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' HA2' ' HD1' ' A' ' 41' ' ' TRP . . . -114.79 -139.86 7.09 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.878 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.9 m -163.85 -159.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.26 -29.29 68.69 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -66.62 -35.12 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.561 0.219 . . . . 0.0 111.526 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.551 ' H ' HD12 ' A' ' 36' ' ' LEU . 21.6 p30 -176.97 147.02 0.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.77 32.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.5 HD22 HD21 ' A' ' 3' ' ' LEU . 7.6 m120 -76.94 150.64 35.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.458 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 4' ' ' ILE . 46.3 t -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 93.5 m95 -101.81 126.38 48.68 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.517 ' SG ' HD13 ' A' ' 4' ' ' ILE . 22.2 m -88.02 122.9 32.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 94.5 mt-10 -64.15 118.32 8.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 0.0 110.934 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.1 t . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.051 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 58.3 m-20 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.613 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.9 tptm -85.15 130.73 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 41.3 tp -91.02 122.27 33.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.484 0.183 . . . . 0.0 110.534 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.5 HG13 ' HB3' ' A' ' 40' ' ' CYS . 30.7 pt -113.17 -40.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.331 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.61 -135.9 1.93 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.15 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -133.17 145.42 50.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 56.3 m -92.88 -33.46 14.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.075 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.676 HG23 ' HA ' ' A' ' 38' ' ' VAL . 46.7 t -65.95 134.72 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.46 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . 14.3 t90 -73.76 110.59 8.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.43 46.45 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.17 148.63 25.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.194 . . . . 0.0 110.744 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.61 -50.78 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.726 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.5 p30 -79.96 46.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.652 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 9' ' ' TRP . 21.3 t80 -66.01 136.71 56.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -149.26 -56.87 0.2 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.1 m 67.83 -51.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.43 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.46 61.54 6.26 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.921 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -58.83 -46.91 86.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.393 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.461 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 47.1 t-20 -51.82 -50.08 61.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.699 -179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.59 72.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 3.6 tp10 -62.72 -53.13 59.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.106 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.6 m -61.78 -46.72 88.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.017 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -60.77 -41.37 95.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.607 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -59.39 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.441 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 96.5 mtt180 -57.77 -39.51 77.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.773 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.3 7.59 1.07 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.282 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' HD2' ' OG1' ' A' ' 44' ' ' THR . 77.5 m-85 -82.39 163.94 21.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.622 -0.34 . . . . 0.0 110.453 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -52.7 -49.36 65.48 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.642 0.589 . . . . 0.0 110.407 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.95 -138.11 3.1 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.826 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -166.96 143.31 8.21 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.09 -13.02 0.63 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.577 ' HA ' ' H ' ' A' ' 41' ' ' TRP . 13.7 t 55.17 48.03 20.41 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.633 0.73 . . . . 0.0 109.378 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.44 -136.4 17.82 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.123 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -153.14 -20.82 0.15 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.553 0.692 . . . . 0.0 110.415 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -152.64 133.52 14.04 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt 67.52 61.79 0.45 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.571 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 0.4 OUTLIER -67.44 65.25 0.07 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.854 -178.21 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.676 ' HA ' HG23 ' A' ' 8' ' ' VAL . 15.6 m -85.03 -46.97 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.487 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.479 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 72.3 m-80 -97.5 133.42 42.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.724 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.5 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -73.11 83.27 1.3 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.577 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 92.8 m95 -84.83 121.98 28.5 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 74.4 m -80.83 136.99 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.91 112.42 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' OG1' ' HD2' ' A' ' 27' ' ' TYR . 90.1 m . . . . . 0 C--O 1.254 1.321 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.159 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 67.9 m-20 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.673 0.273 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -115.67 131.03 57.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.064 0.459 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.513 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 40.2 tp -78.85 128.14 32.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.524 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 5' ' ' GLY . 41.1 pt -121.79 -38.29 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.753 0.311 . . . . 0.0 110.962 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 4' ' ' ILE . . . -170.65 -147.11 5.45 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.205 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 10.2 t -122.77 145.62 48.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.95 0.405 . . . . 0.0 110.403 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.24 -24.62 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.09 142.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.169 0.509 . . . . 0.0 111.647 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -68.49 148.25 50.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.319 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.01 -24.89 13.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.933 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.03 151.53 21.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.859 0.361 . . . . 0.0 111.476 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.52 -46.32 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -92.28 38.02 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.409 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.24 131.12 45.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.22 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t -105.54 142.12 35.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 m -60.63 -33.83 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.418 0.628 . . . . 0.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.747 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 17.5 t-20 -163.28 113.78 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 t -55.99 -51.07 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -62.05 -46.98 86.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -64.38 -43.69 93.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 47.2 tp10 -59.7 -52.03 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.659 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.63 -44.26 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.951 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -59.55 -42.18 91.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.25 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -61.04 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.4 mtt180 -61.16 -35.49 77.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.412 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.78 46.06 0.18 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.294 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -126.86 166.49 17.36 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . 58.6 mttp -61.37 -45.16 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.417 . . . . 0.0 110.435 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.18 9.84 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.645 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -149.46 136.22 5.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' HB3' ' A' ' 32' ' ' CYS . 34.7 m-70 -75.41 -40.55 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 31' ' ' HIS . 15.5 t 76.15 -37.91 0.32 Allowed 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.77 0.669 . . . . 0.0 109.75 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 31' ' ' HIS . . . 116.28 110.16 2.66 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.72 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 m -92.51 -33.61 14.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.856 0.836 . . . . 0.0 110.182 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -168.36 141.31 3.03 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.05 -1.432 . . . . 0.0 109.137 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 mt 55.43 30.56 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.683 0.614 . . . . 0.0 110.205 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -155.56 122.76 5.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.207 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.42 -32.88 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.513 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 75.0 m-20 -65.95 145.11 56.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.727 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' SG ' HD11 ' A' ' 4' ' ' ILE . 34.7 t -79.34 107.04 11.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.32 116.15 28.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 84.2 m -77.68 129.16 35.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.323 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 85.5 mt-10 -70.58 117.53 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.993 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.086 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 2.7 p30 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.914 0.388 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.846 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 50.1 tptt -148.42 122.8 9.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.168 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.05 100.74 13.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.1 pt -85.61 -29.75 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.017 0.437 . . . . 0.0 110.465 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.38 -166.11 36.9 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.89 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -83.4 139.78 32.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.062 0.458 . . . . 0.0 110.718 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -88.92 -27.97 20.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.425 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -88.15 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.109 0.481 . . . . 0.0 111.475 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -74.91 116.42 15.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.47 -47.18 0.42 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.34 151.91 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.333 . . . . 0.0 110.243 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.1 t -63.3 -40.48 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.284 0.564 . . . . 0.0 110.209 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.24 38.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.346 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -71.72 122.97 21.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.58 ' HB ' ' SG ' ' A' ' 40' ' ' CYS . 31.0 m -85.9 136.51 33.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.813 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -53.98 -48.06 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.167 0.508 . . . . 0.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -165.98 113.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.6 m -54.41 -57.62 10.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.101 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -51.53 -47.04 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.398 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.02 -49.91 53.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 27.4 tt0 -64.77 -40.73 95.75 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.686 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 99.2 m -60.23 -45.65 92.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.975 0.416 . . . . 0.0 110.149 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.87 -38.6 88.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -61.67 -50.23 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 73.8 mtt180 -61.43 -36.32 80.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.954 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.79 33.68 0.55 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.654 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -113.1 162.38 16.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . 41.2 mmtm -57.05 -43.44 82.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 0.0 110.464 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 -147.97 10.87 Favored Glycine 0 N--CA 1.442 -0.938 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.564 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.51 123.96 1.2 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -108.2 19.25 20.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.5 t 56.45 -121.74 1.61 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.605 ' HA3' ' HB2' ' A' ' 37' ' ' ASN . . . 167.63 -59.58 0.22 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.006 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.0 m 64.89 160.87 0.12 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 122.928 0.491 . . . . 0.0 112.031 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.452 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 13.4 t80 68.95 -61.93 0.41 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.468 0.707 . . . . 0.0 111.382 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' HG ' ' CD2' ' A' ' 35' ' ' PHE . 71.5 mt -120.55 -53.25 2.11 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.605 ' HB2' ' HA3' ' A' ' 33' ' ' GLY . 76.3 m-20 -77.58 57.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.127 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -76.93 47.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.327 0.584 . . . . 0.0 111.019 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -145.69 153.85 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.147 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' HB ' ' A' ' 15' ' ' THR . 36.9 m -74.4 85.28 1.98 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.327 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -82.2 112.2 19.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.59 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.846 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 71.4 m -79.24 134.86 36.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.238 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 91.2 mt-10 -77.58 126.17 30.47 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 34.4 m-20 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -113.17 129.42 56.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 56.4 tp -72.96 127.73 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.13 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 18' ' ' CYS . 36.1 pt -120.08 -33.53 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.083 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.43 -160.28 24.88 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.748 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -105.18 134.95 47.42 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.86 0.13 57.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.209 0.528 . . . . 0.0 109.938 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.603 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 91.2 t -87.49 130.66 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.424 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -75.16 63.25 1.29 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.332 0.587 . . . . 0.0 110.79 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.11 53.5 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.25 159.94 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.654 0.264 . . . . 0.0 110.89 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.54 134.26 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 65.55 57.6 0.86 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.939 0.876 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -76.08 139.38 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -148.63 125.14 11.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -106.42 -49.02 3.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.18 50.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.326 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.681 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.7 m -61.99 -46.25 90.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.884 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 16.2 t-20 -50.7 -45.6 58.46 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.171 0.294 . . . . 0.0 111.403 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.34 82.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.223 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -74.19 -41.17 61.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -57.36 -48.27 79.47 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 109.605 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -64.63 -39.89 94.5 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.375 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -60.04 -50.14 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.751 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.2 mtt180 -58.0 -39.07 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.011 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.91 32.19 1.22 Allowed Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.341 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -87.63 -172.87 4.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.987 0.393 . . . . 0.0 110.49 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.94 -43.06 72.38 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.87 -148.4 8.94 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.806 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -162.43 142.82 8.22 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.37 20.12 1.89 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.78 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 15.5 t 61.14 -119.25 0.76 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.536 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . -179.31 119.47 0.65 Allowed Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.8 t -161.71 43.65 0.15 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -149.3 78.82 1.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.087 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.2 mt 60.0 34.7 21.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.268 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -167.24 134.25 2.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.066 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.603 ' HB ' ' CG2' ' A' ' 8' ' ' VAL . 34.3 m -97.96 -21.85 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.949 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 61.7 m-80 -65.39 156.46 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.78 ' SG ' ' HA ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -93.87 126.66 39.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.638 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 56.5 m95 -120.45 134.32 55.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' SG ' HD13 ' A' ' 4' ' ' ILE . 57.1 m -82.24 128.84 34.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.35 130.02 44.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.415 0.626 . . . . 0.0 111.307 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.252 1.196 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.321 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.871 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 25.3 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -101.01 120.06 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 39' ' ' ASN . 62.0 tp -75.64 123.26 25.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.627 0.251 . . . . 0.0 111.084 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.428 HD13 ' SG ' ' A' ' 42' ' ' CYS . 43.8 pt -120.92 -34.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.749 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.1 -150.42 6.19 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.597 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -127.2 131.84 50.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.744 0.307 . . . . 0.0 110.78 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.9 m -77.19 -31.71 55.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.794 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -71.48 139.77 19.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.431 0.634 . . . . 0.0 112.136 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -69.02 148.81 49.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.036 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.83 -39.68 2.77 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.322 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 145.85 49.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.57 0.224 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.82 -52.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.6 p30 -87.68 48.17 1.61 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.331 0.586 . . . . 0.0 111.003 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -67.6 133.76 49.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 t -159.21 116.76 2.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.969 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 t -116.69 42.28 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.833 0.825 . . . . 0.0 109.426 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -158.56 38.34 0.23 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' HA ' ' HB3' ' A' ' 21' ' ' GLU . 63.8 m -67.43 -33.47 75.23 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.879 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.558 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 58.9 t-20 -51.02 -44.7 61.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -73.0 -47.02 48.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.409 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 14.4 tp10 -55.35 -50.12 70.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.598 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.8 m -58.77 -43.76 90.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.396 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.87 -40.67 98.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 69.0 mtp85 -62.85 -50.44 70.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.695 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -56.69 -37.77 71.34 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.319 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.01 34.41 0.68 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.159 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-85 -104.78 -176.15 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 44' ' ' THR . 48.2 mmtm -71.79 -49.81 35.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.13 0.491 . . . . 0.0 109.701 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.3 -153.43 10.57 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.558 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -152.98 145.59 13.23 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -158.51 17.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 t 59.08 -138.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.701 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . 151.98 -139.34 7.01 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.588 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.6 m 71.88 155.54 0.15 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.153 0.581 . . . . 0.0 111.633 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -53.52 -38.14 63.46 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.095 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -135.77 31.14 3.07 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.473 -0.142 . . . . 0.0 110.646 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.701 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 22.1 t-20 63.8 119.93 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.901 0.751 . . . . 0.0 112.006 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -173.23 -42.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.517 ' HB3' HD13 ' A' ' 3' ' ' LEU . 72.8 m-20 -100.1 141.94 32.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.676 0.274 . . . . 0.0 110.711 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 120.09 28.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.871 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.0 m95 -116.16 126.17 53.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.666 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 93.8 m -89.71 134.53 34.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.107 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 24.5 mm-40 -73.65 135.37 43.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.9 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.087 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.938 0.399 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -86.78 133.54 33.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 39' ' ' ASN . 44.6 tp -92.59 108.98 20.39 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.527 HD13 ' SG ' ' A' ' 42' ' ' CYS . 49.7 pt -101.05 -32.36 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.037 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.12 -140.1 3.06 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.077 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -148.99 151.86 35.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.802 0.334 . . . . 0.0 110.848 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.45 ' HB2' HG12 ' A' ' 38' ' ' VAL . 91.5 m -90.98 2.59 56.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.609 HG23 ' HB ' ' A' ' 38' ' ' VAL . 70.5 t -82.03 126.32 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.776 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -68.45 143.44 55.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.48 -36.18 4.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.874 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.13 141.89 58.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.39 -41.23 80.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 111.192 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.3 p30 -89.19 37.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.515 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.98 129.15 37.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.02 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.3 t -105.86 137.91 42.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.081 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -60.23 -37.23 79.72 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.607 0.718 . . . . 0.0 109.621 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -163.83 116.53 1.44 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 12.7 t -53.08 -54.66 32.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.436 -177.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.353 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 24' ' ' ARG . . . -60.92 -54.56 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.1 tt0 -59.24 -44.44 92.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.467 0.175 . . . . 0.0 111.166 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.33 -44.26 92.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.646 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -61.63 -42.16 98.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.28 178.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 24.7 mmm180 -57.76 -51.44 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.08 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.0 mtt180 -61.66 -34.17 75.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.286 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.27 22.51 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.76 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.44 151.4 22.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.78 -42.15 64.75 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.209 0.528 . . . . 0.0 110.238 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.0 -157.08 8.71 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.32 143.93 5.93 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.166 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -167.41 109.35 0.64 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.233 0.54 . . . . 0.0 111.065 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.854 ' HB3' ' HA ' ' A' ' 40' ' ' CYS . 4.6 p -64.23 131.98 48.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.146 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -128.11 -147.82 6.63 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m 53.12 61.8 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -34.19 -30.87 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -177.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.25 -43.36 78.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.341 0.519 . . . . 0.0 111.888 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -106.93 -29.9 9.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.8 0.333 . . . . 0.0 111.2 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.609 ' HB ' HG23 ' A' ' 8' ' ' VAL . 6.8 t 66.8 48.23 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 122.31 1.052 . . . . 0.0 110.613 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.591 ' HB3' HD13 ' A' ' 3' ' ' LEU . 30.8 m120 -67.13 127.45 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.321 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.854 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 39.6 t -72.64 109.53 6.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.44 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 89.0 m95 -100.43 118.07 35.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.226 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.527 ' SG ' HD13 ' A' ' 4' ' ' ILE . 61.4 m -88.24 125.01 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.56 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.05 88.5 0.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.557 0.694 . . . . 0.0 109.461 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.951 -178.356 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 47.9 p-10 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.017 0.437 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.86 140.26 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 39' ' ' ASN . 52.3 tp -87.81 129.64 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.464 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.408 HD12 ' OE1' ' A' ' 21' ' ' GLU . 21.0 pt -113.05 -33.31 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.126 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.37 -156.34 15.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.133 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -100.78 140.31 35.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.268 0.556 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 37' ' ' ASN . 46.8 t -97.44 -9.5 27.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.884 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -70.08 132.23 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.815 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -70.03 134.69 48.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.7 -11.98 62.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.34 149.23 50.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.656 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.13 -46.72 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.95 0.405 . . . . 0.0 110.788 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.84 28.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.987 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -74.03 123.5 24.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 16' ' ' SER . 12.2 t -101.3 20.73 15.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.982 -178.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 15' ' ' THR . 13.1 t 69.03 -47.28 0.57 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.398 0.679 . . . . 0.0 112.238 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -156.38 117.0 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.83 -51.27 50.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -50.11 -45.18 52.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.241 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.872 0.368 . . . . 0.0 111.411 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' HG2' ' HD2' ' A' ' 25' ' ' ARG . 83.3 tt0 -67.92 -43.66 78.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.183 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.19 -48.2 82.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.818 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.64 -49.31 76.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -58.46 -49.82 75.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.22 0.533 . . . . 0.0 111.095 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HD2' ' HG2' ' A' ' 21' ' ' GLU . 17.5 mtt85 -59.37 -34.05 71.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.289 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.69 43.99 0.56 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.932 . . . . 0.0 113.178 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -114.8 162.55 16.72 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 110.218 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.37 -146.89 8.55 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.798 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.68 139.92 4.26 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -146.87 25.9 1.13 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 41' ' ' TRP . 47.7 m 58.56 -144.7 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' HD1' ' A' ' 41' ' ' TRP . . . 159.36 -150.01 20.2 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.676 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.403 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 14.4 t 69.44 -139.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -76.26 -48.66 19.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.28 66.85 0.9 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.774 0.321 . . . . 0.0 111.733 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . 4.5 m120 60.98 51.45 4.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 110.237 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 34' ' ' SER . 57.7 t -86.91 -59.7 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.649 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.667 ' HB3' HD13 ' A' ' 3' ' ' LEU . 4.6 m120 -92.91 141.5 28.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.235 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.64 79.88 5.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.917 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 39' ' ' ASN . 72.0 m95 -81.08 116.11 20.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 94.8 m -86.8 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.063 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.17 118.38 13.88 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.663 -178.34 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.694 ' HG3' ' HB2' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -88.4 137.28 32.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.552 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 57.0 tp -92.3 113.08 25.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.441 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.503 HG12 ' SG ' ' A' ' 40' ' ' CYS . 8.9 pt -103.15 -30.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.039 0.447 . . . . 0.0 110.288 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.52 -139.53 4.34 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.794 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 36.0 t -147.16 140.09 25.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 32.5 m -84.94 43.35 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.133 0.492 . . . . 0.0 110.676 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.75 135.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -80.68 54.5 2.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.456 0.646 . . . . 0.0 110.591 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.36 44.9 0.17 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.51 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.7 142.91 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.03 45.07 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.633 0.73 . . . . 0.0 110.63 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -163.07 30.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.976 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 6' ' ' SER . 51.5 t80 -81.36 128.42 33.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -105.82 142.18 35.98 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 m -49.54 -46.61 48.83 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.544 0.688 . . . . 0.0 109.539 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.739 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 74.1 m-20 -149.2 129.56 13.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 44.8 t -59.18 -42.34 90.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.597 0.713 . . . . 0.0 110.405 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.73 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 45.5 t30 -74.27 -47.41 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . . . -53.22 -55.72 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -55.12 -56.12 23.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.083 0.468 . . . . 0.0 111.44 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.704 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 96.6 m -64.16 -35.15 79.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.799 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 18.5 tptm -62.8 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -62.6 -46.73 86.95 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.492 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.704 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.45 -36.03 77.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.983 -179.215 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 51.75 0.39 Allowed Glycine 0 C--N 1.335 0.49 0 C-N-CA 120.203 -0.999 . . . . 0.0 115.121 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.73 ' OH ' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -113.92 -176.44 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.891 0.845 . . . . 0.0 110.433 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -79.84 -51.76 8.74 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 43' ' ' GLU . . . -175.99 161.9 30.67 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.396 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.51 159.75 27.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.563 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -144.58 5.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 17.6 t 53.05 -122.91 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.355 0.409 . . . . 0.0 109.98 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.16 143.02 14.12 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.762 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -156.29 37.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.346 0.593 . . . . 0.0 110.075 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -171.29 73.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.2 mt 73.96 -43.81 0.55 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.07 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -69.06 129.79 40.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.858 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.2 m -107.58 -5.3 10.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.357 0.599 . . . . 0.0 110.354 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 75.3 m-20 -71.22 145.5 49.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.148 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' SG ' HG12 ' A' ' 4' ' ' ILE . 3.7 t -81.26 106.18 13.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.806 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 96.3 m95 -100.29 115.85 30.9 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.241 0.543 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.694 ' HB2' ' HG3' ' A' ' 2' ' ' LYS . 52.0 m -104.11 128.43 51.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' GLY . 51.5 mt-10 -80.37 123.26 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.484 ' CG2' ' HE2' ' A' ' 2' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.634 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 65.2 m-20 . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.918 0.389 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -117.58 132.36 56.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.688 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 61.2 tp -81.99 109.37 16.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.1 pt -113.24 -27.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.563 ' HA2' ' HB3' ' A' ' 13' ' ' ASN . . . -164.31 -151.33 6.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.846 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 35.2 t -136.87 136.91 39.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.886 0.374 . . . . 0.0 110.758 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 40' ' ' CYS . 34.0 m -96.57 39.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.2 t -133.52 129.11 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -59.72 143.03 51.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.79 7.39 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 148.79 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.651 0.262 . . . . 0.0 110.95 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.93 -51.98 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.563 ' HB3' ' HA2' ' A' ' 5' ' ' GLY . 3.4 m120 -86.87 36.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -63.03 133.81 55.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.283 0.563 . . . . 0.0 112.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -157.14 123.83 5.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.454 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.3 p -80.31 -54.83 5.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.907 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -82.27 60.26 4.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 110.817 -179.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.8 t -53.88 -44.82 70.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.213 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.513 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -55.2 -49.91 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.86 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.449 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 21.4 tp10 -57.71 -50.94 71.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 110.169 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.88 -43.99 97.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.835 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.79 -40.13 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.194 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -63.64 -50.42 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.9 mtt180 -58.66 -39.18 79.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.63 43.43 0.19 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.164 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -117.28 164.68 14.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HD2' ' HA ' ' A' ' 44' ' ' THR . 88.9 mttt -58.47 -47.18 84.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.938 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.65 -147.2 5.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.515 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -168.07 141.97 7.16 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -150.56 1.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.559 ' HA ' ' H ' ' A' ' 41' ' ' TRP . 45.2 m . . . . . 0 N--CA 1.466 0.359 0 CA-C-O 120.458 0.17 . . . . 0.0 111.323 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.108 0.48 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.531 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 76.1 m-20 -101.54 149.72 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.318 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 38.5 t -80.94 87.95 5.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.559 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 94.5 m95 -89.56 112.49 23.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.905 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 99.8 m -73.28 125.67 28.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.44 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.33 120.05 12.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.073 0.464 . . . . 0.0 109.776 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.483 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 12.4 t . . . . . 0 C--O 1.255 1.359 0 CA-C-O 117.972 -1.013 . . . . 0.0 108.85 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 79.7 m-20 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.023 0.439 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -98.38 125.91 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.225 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.5 HD21 HD22 ' A' ' 39' ' ' ASN . 4.5 tt -76.82 124.35 27.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.517 HD13 ' SG ' ' A' ' 42' ' ' CYS . 46.3 pt -116.31 -34.09 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.84 -138.07 2.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.03 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 8.8 t -129.7 151.13 50.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.799 0.333 . . . . 0.0 110.442 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -111.1 50.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.262 0.553 . . . . 0.0 110.661 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.56 130.51 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.077 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -67.35 126.64 29.9 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -25.15 29.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.302 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.1 141.34 56.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.01 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 0.0 111.394 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.84 23.32 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' SER . 12.4 t80 -80.78 126.2 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 16' ' ' SER . 25.5 p -93.74 7.64 44.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' CE2' ' A' ' 14' ' ' TYR . 74.4 m 70.27 -44.94 0.58 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.426 0.69 . . . . 0.0 111.394 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -161.43 106.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.44 -43.46 93.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.878 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -52.35 -49.23 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.927 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.35 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.4 tp10 -55.92 -50.98 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.996 0.426 . . . . 0.0 110.645 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 85.1 m -64.25 -44.31 92.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 70.3 tttt -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -65.29 -50.21 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.633 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.0 mtt180 -56.25 -40.57 74.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.27 40.15 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.54 ' HD2' ' HB ' ' A' ' 44' ' ' THR . 23.8 m-85 -119.2 156.52 29.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -55.77 -42.55 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.257 0.348 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.49 -152.1 9.43 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.59 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.502 ' HA2' ' HG3' ' A' ' 43' ' ' GLU . . . -171.31 153.13 19.73 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -148.52 30.39 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.914 0.357 . . . . 0.0 110.829 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.2 m . . . . . 0 C--N 1.328 -0.365 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.017 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.6 m . . . . . 0 C--O 1.235 0.298 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.5 HD22 HD21 ' A' ' 3' ' ' LEU . 7.6 m120 -76.94 150.64 35.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.458 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 4' ' ' ILE . 46.3 t -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 93.5 m95 -101.81 126.38 48.68 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.517 ' SG ' HD13 ' A' ' 4' ' ' ILE . 22.2 m -88.02 122.9 32.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 94.5 mt-10 -64.15 118.32 8.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 0.0 110.934 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.1 t . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.051 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 58.3 m-20 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.613 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.9 tptm -85.15 130.73 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 41.3 tp -91.02 122.27 33.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.484 0.183 . . . . 0.0 110.534 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.5 HG13 ' HB3' ' A' ' 40' ' ' CYS . 30.7 pt -113.17 -40.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.331 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.61 -135.9 1.93 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.15 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -133.17 145.42 50.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 40' ' ' CYS . 56.3 m -92.88 -33.46 14.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.075 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.676 HG23 ' HA ' ' A' ' 38' ' ' VAL . 46.7 t -65.95 134.72 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.46 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . 14.3 t90 -73.76 110.59 8.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.43 46.45 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.17 148.63 25.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.194 . . . . 0.0 110.744 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.61 -50.78 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.726 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.417 HD22 ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -79.96 46.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.652 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 9' ' ' TRP . 21.3 t80 -66.01 136.71 56.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -149.26 -56.87 0.2 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.1 m 67.83 -51.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.43 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.46 61.54 6.26 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.921 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -58.83 -46.91 86.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.393 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.461 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -51.82 -50.08 61.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.699 -179.172 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.59 72.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 3.6 tp10 -62.72 -53.13 59.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.106 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.6 m -61.78 -46.72 88.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.017 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -60.77 -41.37 95.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.607 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -59.39 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.441 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 96.5 mtt180 -57.77 -39.51 77.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.773 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.3 7.59 1.07 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.282 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.422 ' HD2' ' OG1' ' A' ' 44' ' ' THR . 77.5 m-85 -82.39 163.94 21.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.622 -0.34 . . . . 0.0 110.453 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -52.7 -49.36 65.48 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.642 0.589 . . . . 0.0 110.407 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.95 -138.11 3.1 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.826 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -166.96 143.31 8.21 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.09 -13.02 0.63 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.577 ' HA ' ' H ' ' A' ' 41' ' ' TRP . 13.7 t . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 121.633 0.73 . . . . 0.0 109.378 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.676 ' HA ' HG23 ' A' ' 8' ' ' VAL . 15.6 m . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.594 0.235 . . . . 0.0 111.487 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.479 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 72.3 m-80 -97.5 133.42 42.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.724 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.5 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -73.11 83.27 1.3 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.577 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 92.8 m95 -84.83 121.98 28.5 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 74.4 m -80.83 136.99 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.91 112.42 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' OG1' ' HD2' ' A' ' 27' ' ' TYR . 90.1 m . . . . . 0 C--O 1.254 1.321 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.159 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 67.9 m-20 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.673 0.273 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -115.67 131.03 57.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.064 0.459 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.513 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 40.2 tp -78.85 128.14 32.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.524 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 5' ' ' GLY . 41.1 pt -121.79 -38.29 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.753 0.311 . . . . 0.0 110.962 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 4' ' ' ILE . . . -170.65 -147.11 5.45 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.205 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 10.2 t -122.77 145.62 48.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.95 0.405 . . . . 0.0 110.403 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.24 -24.62 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.09 142.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.169 0.509 . . . . 0.0 111.647 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -68.49 148.25 50.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.319 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.01 -24.89 13.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.933 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.03 151.53 21.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.859 0.361 . . . . 0.0 111.476 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.52 -46.32 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -92.28 38.02 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.409 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.24 131.12 45.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.22 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t -105.54 142.12 35.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 m -60.63 -33.83 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.418 0.628 . . . . 0.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.747 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 17.5 t-20 -163.28 113.78 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 t -55.99 -51.07 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -46.98 86.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -64.38 -43.69 93.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 47.2 tp10 -59.7 -52.03 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.659 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.63 -44.26 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.951 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -59.55 -42.18 91.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.25 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -61.04 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.4 mtt180 -61.16 -35.49 77.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.412 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.78 46.06 0.18 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.294 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -126.86 166.49 17.36 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . 58.6 mttp -61.37 -45.16 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.417 . . . . 0.0 110.435 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.18 9.84 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.645 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -149.46 136.22 5.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' HB3' ' A' ' 32' ' ' CYS . 34.7 m-70 -75.41 -40.55 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 31' ' ' HIS . 15.5 t . . . . . 0 N--CA 1.471 0.619 0 O-C-N 123.77 0.669 . . . . 0.0 109.75 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.513 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 75.0 m-20 -65.95 145.11 56.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.727 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' SG ' HD11 ' A' ' 4' ' ' ILE . 34.7 t -79.34 107.04 11.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.32 116.15 28.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 84.2 m -77.68 129.16 35.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.323 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 85.5 mt-10 -70.58 117.53 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.993 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.086 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 2.7 p30 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.914 0.388 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.846 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 50.1 tptt -148.42 122.8 9.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.168 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.05 100.74 13.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.1 pt -85.61 -29.75 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.017 0.437 . . . . 0.0 110.465 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.38 -166.11 36.9 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.89 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -83.4 139.78 32.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.062 0.458 . . . . 0.0 110.718 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -88.92 -27.97 20.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.425 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -88.15 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.109 0.481 . . . . 0.0 111.475 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -74.91 116.42 15.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.47 -47.18 0.42 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.34 151.91 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.333 . . . . 0.0 110.243 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.1 t -63.3 -40.48 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.284 0.564 . . . . 0.0 110.209 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.24 38.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.346 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -71.72 122.97 21.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.58 ' HB ' ' SG ' ' A' ' 40' ' ' CYS . 31.0 m -85.9 136.51 33.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.813 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -53.98 -48.06 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.167 0.508 . . . . 0.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -165.98 113.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.6 m -54.41 -57.62 10.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.101 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -47.04 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.398 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.02 -49.91 53.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 27.4 tt0 -64.77 -40.73 95.75 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.686 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 99.2 m -60.23 -45.65 92.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.975 0.416 . . . . 0.0 110.149 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.87 -38.6 88.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -61.67 -50.23 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 73.8 mtt180 -61.43 -36.32 80.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.954 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.79 33.68 0.55 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.654 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -113.1 162.38 16.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . 41.2 mmtm -57.05 -43.44 82.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 0.0 110.464 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 -147.97 10.87 Favored Glycine 0 N--CA 1.442 -0.938 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.564 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.51 123.96 1.2 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -108.2 19.25 20.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.813 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 121.327 0.584 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -145.69 153.85 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.147 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' HB ' ' A' ' 15' ' ' THR . 36.9 m -74.4 85.28 1.98 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.327 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -82.2 112.2 19.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.59 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.846 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 71.4 m -79.24 134.86 36.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.238 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 91.2 mt-10 -77.58 126.17 30.47 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 34.4 m-20 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -113.17 129.42 56.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 56.4 tp -72.96 127.73 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.13 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 18' ' ' CYS . 36.1 pt -120.08 -33.53 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.083 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.43 -160.28 24.88 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.748 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -105.18 134.95 47.42 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.86 0.13 57.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.209 0.528 . . . . 0.0 109.938 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.603 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 91.2 t -87.49 130.66 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.424 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -75.16 63.25 1.29 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.332 0.587 . . . . 0.0 110.79 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.11 53.5 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.25 159.94 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.654 0.264 . . . . 0.0 110.89 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.54 134.26 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 65.55 57.6 0.86 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.939 0.876 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -76.08 139.38 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -148.63 125.14 11.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -106.42 -49.02 3.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.18 50.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.326 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.681 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.7 m -61.99 -46.25 90.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.884 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 16.2 t-20 -50.7 -45.6 58.46 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.171 0.294 . . . . 0.0 111.403 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.34 82.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.223 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -74.19 -41.17 61.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -57.36 -48.27 79.47 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 109.605 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -64.63 -39.89 94.5 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.375 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -60.04 -50.14 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.751 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.2 mtt180 -58.0 -39.07 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.011 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.91 32.19 1.22 Allowed Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.341 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -87.63 -172.87 4.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.987 0.393 . . . . 0.0 110.49 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.94 -43.06 72.38 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.87 -148.4 8.94 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.806 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -162.43 142.82 8.22 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.37 20.12 1.89 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.78 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 15.5 t . . . . . 0 C--N 1.323 -0.561 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.603 ' HB ' ' CG2' ' A' ' 8' ' ' VAL . 34.3 m . . . . . 0 C--O 1.236 0.352 0 N-CA-C 111.949 0.352 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 61.7 m-80 -65.39 156.46 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.78 ' SG ' ' HA ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -93.87 126.66 39.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 56.5 m95 -120.45 134.32 55.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' SG ' HD13 ' A' ' 4' ' ' ILE . 57.1 m -82.24 128.84 34.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.35 130.02 44.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.415 0.626 . . . . 0.0 111.307 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.252 1.196 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.321 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.871 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 25.3 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -101.01 120.06 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 39' ' ' ASN . 62.0 tp -75.64 123.26 25.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.627 0.251 . . . . 0.0 111.084 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.428 HD13 ' SG ' ' A' ' 42' ' ' CYS . 43.8 pt -120.92 -34.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.749 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.1 -150.42 6.19 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.597 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -127.2 131.84 50.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.744 0.307 . . . . 0.0 110.78 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.9 m -77.19 -31.71 55.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.794 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -71.48 139.77 19.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.431 0.634 . . . . 0.0 112.136 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -69.02 148.81 49.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.036 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.83 -39.68 2.77 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.322 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 145.85 49.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.57 0.224 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.82 -52.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.68 48.17 1.61 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.331 0.586 . . . . 0.0 111.003 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -67.6 133.76 49.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 t -159.21 116.76 2.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.969 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 t -116.69 42.28 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.833 0.825 . . . . 0.0 109.426 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.56 38.34 0.23 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.487 ' HA ' ' HB3' ' A' ' 21' ' ' GLU . 63.8 m -67.43 -33.47 75.23 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.879 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.558 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -51.02 -44.7 61.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -73.0 -47.02 48.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.409 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 14.4 tp10 -55.35 -50.12 70.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.598 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.8 m -58.77 -43.76 90.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.396 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.87 -40.67 98.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 69.0 mtp85 -62.85 -50.44 70.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.695 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -56.69 -37.77 71.34 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.319 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.01 34.41 0.68 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.159 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-85 -104.78 -176.15 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 44' ' ' THR . 48.2 mmtm -71.79 -49.81 35.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.13 0.491 . . . . 0.0 109.701 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.3 -153.43 10.57 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.558 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -152.98 145.59 13.23 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -158.51 17.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 t . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -178.4 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.744 0.307 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.517 ' HB3' HD13 ' A' ' 3' ' ' LEU . 72.8 m-20 -100.1 141.94 32.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.676 0.274 . . . . 0.0 110.711 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 120.09 28.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.871 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.0 m95 -116.16 126.17 53.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.666 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 93.8 m -89.71 134.53 34.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.107 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 24.5 mm-40 -73.65 135.37 43.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.9 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.087 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.938 0.399 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -86.78 133.54 33.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 39' ' ' ASN . 44.6 tp -92.59 108.98 20.39 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.527 HD13 ' SG ' ' A' ' 42' ' ' CYS . 49.7 pt -101.05 -32.36 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.037 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.12 -140.1 3.06 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.077 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -148.99 151.86 35.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.802 0.334 . . . . 0.0 110.848 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.45 ' HB2' HG12 ' A' ' 38' ' ' VAL . 91.5 m -90.98 2.59 56.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.609 HG23 ' HB ' ' A' ' 38' ' ' VAL . 70.5 t -82.03 126.32 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.776 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -68.45 143.44 55.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.48 -36.18 4.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.874 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.13 141.89 58.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.39 -41.23 80.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 111.192 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.19 37.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.515 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.98 129.15 37.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.02 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.3 t -105.86 137.91 42.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.081 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -60.23 -37.23 79.72 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.607 0.718 . . . . 0.0 109.621 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.67 HD22 ' HB2' ' A' ' 20' ' ' ALA . 54.9 t30 -163.83 116.53 1.44 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.434 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 12.7 t -53.08 -54.66 32.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.436 -177.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.353 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB2' HD22 ' A' ' 17' ' ' ASN . . . -60.92 -54.56 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.1 tt0 -59.24 -44.44 92.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.467 0.175 . . . . 0.0 111.166 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.33 -44.26 92.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.646 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -61.63 -42.16 98.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.28 178.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 24.7 mmm180 -57.76 -51.44 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.08 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.0 mtt180 -61.66 -34.17 75.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.286 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.27 22.51 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.76 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.44 151.4 22.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.78 -42.15 64.75 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.209 0.528 . . . . 0.0 110.238 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.0 -157.08 8.71 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.32 143.93 5.93 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.166 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -167.41 109.35 0.64 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.233 0.54 . . . . 0.0 111.065 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.854 ' HB3' ' HA ' ' A' ' 40' ' ' CYS . 4.6 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.146 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.609 ' HB ' HG23 ' A' ' 8' ' ' VAL . 6.8 t . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 122.31 1.052 . . . . 0.0 110.613 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.591 ' HB3' HD13 ' A' ' 3' ' ' LEU . 62.0 m-80 -67.13 127.45 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.321 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.854 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 39.6 t -72.64 109.53 6.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.44 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 89.0 m95 -100.43 118.07 35.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.226 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.527 ' SG ' HD13 ' A' ' 4' ' ' ILE . 61.4 m -88.24 125.01 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.56 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.05 88.5 0.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.557 0.694 . . . . 0.0 109.461 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.951 -178.356 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 47.9 p-10 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.017 0.437 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.86 140.26 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 39' ' ' ASN . 52.3 tp -87.81 129.64 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.464 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.408 HD12 ' OE1' ' A' ' 21' ' ' GLU . 21.0 pt -113.05 -33.31 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.126 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.37 -156.34 15.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.133 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -100.78 140.31 35.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.268 0.556 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -97.44 -9.5 27.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.884 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -70.08 132.23 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.815 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -70.03 134.69 48.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.7 -11.98 62.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.34 149.23 50.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.656 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.13 -46.72 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.95 0.405 . . . . 0.0 110.788 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.84 28.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.987 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -74.03 123.5 24.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 16' ' ' SER . 12.2 t -101.3 20.73 15.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.982 -178.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 15' ' ' THR . 13.1 t 69.03 -47.28 0.57 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.398 0.679 . . . . 0.0 112.238 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -156.38 117.0 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.83 -51.27 50.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -50.11 -45.18 52.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.241 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.872 0.368 . . . . 0.0 111.411 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' HG2' ' HD2' ' A' ' 25' ' ' ARG . 83.3 tt0 -67.92 -43.66 78.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.183 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.19 -48.2 82.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.818 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.64 -49.31 76.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -58.46 -49.82 75.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.22 0.533 . . . . 0.0 111.095 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HD2' ' HG2' ' A' ' 21' ' ' GLU . 17.5 mtt85 -59.37 -34.05 71.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.289 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.69 43.99 0.56 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.932 . . . . 0.0 113.178 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -114.8 162.55 16.72 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 110.218 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.37 -146.89 8.55 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.798 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.68 139.92 4.26 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -146.87 25.9 1.13 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 41' ' ' TRP . 47.7 m . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.762 0.315 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.667 ' HB3' HD13 ' A' ' 3' ' ' LEU . 4.6 m120 -92.91 141.5 28.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.235 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.64 79.88 5.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.917 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 39' ' ' ASN . 72.0 m95 -81.08 116.11 20.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 94.8 m -86.8 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.063 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.17 118.38 13.88 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.663 -178.34 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.694 ' HG3' ' HB2' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -88.4 137.28 32.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.552 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 57.0 tp -92.3 113.08 25.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.441 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.503 HG12 ' SG ' ' A' ' 40' ' ' CYS . 8.9 pt -103.15 -30.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.039 0.447 . . . . 0.0 110.288 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.52 -139.53 4.34 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.794 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 36.0 t -147.16 140.09 25.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 32.5 m -84.94 43.35 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.133 0.492 . . . . 0.0 110.676 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.75 135.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -80.68 54.5 2.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.456 0.646 . . . . 0.0 110.591 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.36 44.9 0.17 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.51 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.7 142.91 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.03 45.07 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.633 0.73 . . . . 0.0 110.63 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -163.07 30.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.976 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 6' ' ' SER . 51.5 t80 -81.36 128.42 33.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -105.82 142.18 35.98 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 m -49.54 -46.61 48.83 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.544 0.688 . . . . 0.0 109.539 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.739 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 74.1 m-20 -149.2 129.56 13.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 44.8 t -59.18 -42.34 90.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.597 0.713 . . . . 0.0 110.405 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.73 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 2.3 t-20 -74.27 -47.41 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . . . -53.22 -55.72 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -55.12 -56.12 23.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.083 0.468 . . . . 0.0 111.44 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.704 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 96.6 m -64.16 -35.15 79.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.799 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 18.5 tptm -62.8 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -62.6 -46.73 86.95 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.492 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.704 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.45 -36.03 77.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.983 -179.215 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 51.75 0.39 Allowed Glycine 0 C--N 1.335 0.49 0 C-N-CA 120.203 -0.999 . . . . 0.0 115.121 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.73 ' OH ' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -113.92 -176.44 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.891 0.845 . . . . 0.0 110.433 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -79.84 -51.76 8.74 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 43' ' ' GLU . . . -175.99 161.9 30.67 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.396 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.51 159.75 27.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.563 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -144.58 5.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 17.6 t . . . . . 0 C--N 1.33 -0.264 0 O-C-N 123.355 0.409 . . . . 0.0 109.98 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.357 0.599 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 75.3 m-20 -71.22 145.5 49.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.148 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.503 ' SG ' HG12 ' A' ' 4' ' ' ILE . 3.7 t -81.26 106.18 13.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.806 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 96.3 m95 -100.29 115.85 30.9 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.241 0.543 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.694 ' HB2' ' HG3' ' A' ' 2' ' ' LYS . 52.0 m -104.11 128.43 51.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' GLY . 51.5 mt-10 -80.37 123.26 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.484 ' CG2' ' HE2' ' A' ' 2' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.638 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.634 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 65.2 m-20 . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.918 0.389 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -117.58 132.36 56.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.688 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 61.2 tp -81.99 109.37 16.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.653 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.1 pt -113.24 -27.39 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.563 ' HA2' ' HB3' ' A' ' 13' ' ' ASN . . . -164.31 -151.33 6.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.846 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 35.2 t -136.87 136.91 39.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.886 0.374 . . . . 0.0 110.758 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.459 ' SG ' ' HA ' ' A' ' 40' ' ' CYS . 34.0 m -96.57 39.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.431 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.2 t -133.52 129.11 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -59.72 143.03 51.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.37 -31.79 7.39 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.49 148.79 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.651 0.262 . . . . 0.0 110.95 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.93 -51.98 66.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.563 ' HB3' ' HA2' ' A' ' 5' ' ' GLY . 3.4 m120 -86.87 36.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.961 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -63.03 133.81 55.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.283 0.563 . . . . 0.0 112.29 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 t -157.14 123.83 5.03 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.454 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.3 p -80.31 -54.83 5.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.907 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -82.27 60.26 4.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 110.817 -179.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.8 t -53.88 -44.82 70.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.213 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.513 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.7 OUTLIER -55.2 -49.91 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.97 -41.86 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.449 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 21.4 tp10 -57.71 -50.94 71.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.075 0.464 . . . . 0.0 110.169 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.88 -43.99 97.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.835 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -60.79 -40.13 91.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.194 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -63.64 -50.42 69.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.9 mtt180 -58.66 -39.18 79.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.63 43.43 0.19 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.342 -0.932 . . . . 0.0 113.164 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -117.28 164.68 14.46 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HD2' ' HA ' ' A' ' 44' ' ' THR . 88.9 mttt -58.47 -47.18 84.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.938 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.65 -147.2 5.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.515 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -168.07 141.97 7.16 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 110.551 -1.02 . . . . 0.0 110.551 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -150.56 1.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.826 ' O ' ' HA ' ' A' ' 37' ' ' ASN . 45.2 m 57.27 30.68 18.85 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.458 0.17 . . . . 0.0 111.323 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.39 139.7 3.27 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 120.471 -0.871 . . . . 0.0 111.57 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 m -86.79 23.38 1.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -168.36 -52.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.38 60.82 4.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.826 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 13.8 p-10 -65.98 47.59 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 114.914 -1.039 . . . . 0.0 113.398 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 m -109.18 -37.59 3.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.108 0.48 . . . . 0.0 110.582 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.531 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 76.1 m-20 -101.54 149.72 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.318 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.459 ' HA ' ' SG ' ' A' ' 7' ' ' CYS . 38.5 t -80.94 87.95 5.94 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.559 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 94.5 m95 -89.56 112.49 23.7 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.905 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 99.8 m -73.28 125.67 28.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.44 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.33 120.05 12.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.073 0.464 . . . . 0.0 109.776 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.483 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 12.4 t . . . . . 0 C--O 1.255 1.359 0 CA-C-O 117.972 -1.013 . . . . 0.0 108.85 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 79.7 m-20 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.023 0.439 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -98.38 125.91 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.225 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.5 HD21 HD22 ' A' ' 39' ' ' ASN . 4.5 tt -76.82 124.35 27.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.517 HD13 ' SG ' ' A' ' 42' ' ' CYS . 46.3 pt -116.31 -34.09 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.84 -138.07 2.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.084 -1.055 . . . . 0.0 113.03 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 8.8 t -129.7 151.13 50.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.799 0.333 . . . . 0.0 110.442 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -111.1 50.31 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.262 0.553 . . . . 0.0 110.661 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.6 t -120.56 130.51 74.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.077 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -67.35 126.64 29.9 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.26 -25.15 29.24 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.302 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.1 141.34 56.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.01 -36.96 78.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.852 0.358 . . . . 0.0 111.394 -179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.84 23.32 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' SER . 12.4 t80 -80.78 126.2 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 16' ' ' SER . 25.5 p -93.74 7.64 44.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' CE2' ' A' ' 14' ' ' TYR . 74.4 m 70.27 -44.94 0.58 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.426 0.69 . . . . 0.0 111.394 -179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -161.43 106.68 1.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.5 m -59.44 -43.46 93.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.878 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.563 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -52.35 -49.23 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.927 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.72 -48.35 64.05 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.4 tp10 -55.92 -50.98 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.996 0.426 . . . . 0.0 110.645 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 27' ' ' TYR . 85.1 m -64.25 -44.31 92.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.739 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 70.3 tttt -58.78 -41.49 86.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -65.29 -50.21 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.633 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.0 mtt180 -56.25 -40.57 74.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.27 40.15 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.515 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.54 ' HD2' ' HB ' ' A' ' 44' ' ' THR . 23.8 m-85 -119.2 156.52 29.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -55.77 -42.55 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.257 0.348 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.49 -152.1 9.43 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.59 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.502 ' HA2' ' HG3' ' A' ' 43' ' ' GLU . . . -171.31 153.13 19.73 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -148.52 30.39 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.914 0.357 . . . . 0.0 110.829 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.2 m 57.29 -138.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' HA2' ' HD1' ' A' ' 41' ' ' TRP . . . -114.79 -139.86 7.09 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.878 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.9 m -163.85 -159.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -60.26 -29.29 68.69 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER -66.62 -35.12 79.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.561 0.219 . . . . 0.0 111.526 179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.551 ' H ' HD12 ' A' ' 36' ' ' LEU . 21.6 p30 -176.97 147.02 0.55 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.6 m -92.77 32.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.5 HD22 HD21 ' A' ' 3' ' ' LEU . 7.6 m120 -76.94 150.64 35.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.885 0.374 . . . . 0.0 110.458 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 4' ' ' ILE . 46.3 t -81.26 105.99 12.88 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 93.5 m95 -101.81 126.38 48.68 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.517 ' SG ' HD13 ' A' ' 4' ' ' ILE . 22.2 m -88.02 122.9 32.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 94.5 mt-10 -64.15 118.32 8.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.076 0.465 . . . . 0.0 110.934 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.1 t . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.051 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 58.3 m-20 . . . . . 0 N--CA 1.483 1.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.613 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.9 tptm -85.15 130.73 34.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.23 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 41' ' ' TRP . 41.3 tp -91.02 122.27 33.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.484 0.183 . . . . 0.0 110.534 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.5 HG13 ' HB3' ' A' ' 40' ' ' CYS . 30.7 pt -113.17 -40.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.331 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.61 -135.9 1.93 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.202 -0.999 . . . . 0.0 113.15 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -133.17 145.42 50.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 37' ' ' ASN . 56.3 m -92.88 -33.46 14.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.075 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.676 HG23 ' HA ' ' A' ' 38' ' ' VAL . 46.7 t -65.95 134.72 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.823 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.46 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . 14.3 t90 -73.76 110.59 8.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 138.43 46.45 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.17 148.63 25.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.812 -0.194 . . . . 0.0 110.744 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.61 -50.78 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.726 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.417 HD22 ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -79.96 46.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.652 179.712 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 9' ' ' TRP . 21.3 t80 -66.01 136.71 56.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.7 m -149.26 -56.87 0.2 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.767 0.318 . . . . 0.0 110.712 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.1 m 67.83 -51.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.43 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -83.46 61.54 6.26 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.921 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -58.83 -46.91 86.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.393 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.461 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -51.82 -50.08 61.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.699 -179.172 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.87 -49.59 72.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 3.6 tp10 -62.72 -53.13 59.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.106 -179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.6 m -61.78 -46.72 88.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.017 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -60.77 -41.37 95.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.607 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -59.39 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.441 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 96.5 mtt180 -57.77 -39.51 77.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.773 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.3 7.59 1.07 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.282 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.422 ' HD2' ' OG1' ' A' ' 44' ' ' THR . 77.5 m-85 -82.39 163.94 21.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.622 -0.34 . . . . 0.0 110.453 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -52.7 -49.36 65.48 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.642 0.589 . . . . 0.0 110.407 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.95 -138.11 3.1 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.826 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -166.96 143.31 8.21 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.09 -13.02 0.63 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.577 ' HA ' ' H ' ' A' ' 41' ' ' TRP . 13.7 t 55.17 48.03 20.41 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.633 0.73 . . . . 0.0 109.378 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.44 -136.4 17.82 Favored Glycine 0 N--CA 1.445 -0.719 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.123 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -153.14 -20.82 0.15 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.553 0.692 . . . . 0.0 110.415 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -152.64 133.52 14.04 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.9 mt 67.52 61.79 0.45 Allowed 'General case' 0 C--O 1.233 0.22 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.571 ' HB2' ' SG ' ' A' ' 32' ' ' CYS . 11.6 p30 -67.44 65.25 0.07 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.033 -0.985 . . . . 0.0 112.854 -178.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.676 ' HA ' HG23 ' A' ' 8' ' ' VAL . 15.6 m -85.03 -46.97 17.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.487 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.479 ' HB2' ' NE1' ' A' ' 41' ' ' TRP . 72.3 m-80 -97.5 133.42 42.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.724 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.5 ' HB3' HG13 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -73.11 83.27 1.3 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.577 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 92.8 m95 -84.83 121.98 28.5 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 74.4 m -80.83 136.99 36.19 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.91 112.42 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' OG1' ' HD2' ' A' ' 27' ' ' TYR . 90.1 m . . . . . 0 C--O 1.254 1.321 0 CA-C-O 117.817 -1.087 . . . . 0.0 109.159 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 67.9 m-20 . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.673 0.273 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -115.67 131.03 57.06 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.064 0.459 . . . . 0.0 111.071 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.513 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 40.2 tp -78.85 128.14 32.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.524 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 5' ' ' GLY . 41.1 pt -121.79 -38.29 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.753 0.311 . . . . 0.0 110.962 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 4' ' ' ILE . . . -170.65 -147.11 5.45 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.205 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 10.2 t -122.77 145.62 48.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.95 0.405 . . . . 0.0 110.403 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -91.24 -24.62 19.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -69.09 142.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.169 0.509 . . . . 0.0 111.647 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -68.49 148.25 50.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.319 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.01 -24.89 13.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.933 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.03 151.53 21.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.859 0.361 . . . . 0.0 111.476 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.52 -46.32 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.312 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -92.28 38.02 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.409 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -65.24 131.12 45.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.22 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 t -105.54 142.12 35.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.894 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.8 m -60.63 -33.83 73.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.418 0.628 . . . . 0.0 110.264 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.747 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 17.5 t-20 -163.28 113.78 1.39 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 t -55.99 -51.07 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.822 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -46.98 86.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.76 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.747 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . . . -64.38 -43.69 93.68 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 47.2 tp10 -59.7 -52.03 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.975 0.417 . . . . 0.0 110.659 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -61.63 -44.26 97.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.951 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -59.55 -42.18 91.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.25 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.2 ttm-85 -61.04 -51.46 69.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.287 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.4 mtt180 -61.16 -35.49 77.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.412 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.78 46.06 0.18 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.294 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -126.86 166.49 17.36 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . 58.6 mttp -61.37 -45.16 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.417 . . . . 0.0 110.435 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -177.59 -152.18 9.84 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.645 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -149.46 136.22 5.67 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' HB3' ' A' ' 32' ' ' CYS . 34.7 m-70 -75.41 -40.55 57.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 31' ' ' HIS . 15.5 t 76.15 -37.91 0.32 Allowed 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.77 0.669 . . . . 0.0 109.75 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 31' ' ' HIS . . . 116.28 110.16 2.66 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.72 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 m -92.51 -33.61 14.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.856 0.836 . . . . 0.0 110.182 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -168.36 141.31 3.03 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.05 -1.432 . . . . 0.0 109.137 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 mt 55.43 30.56 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.683 0.614 . . . . 0.0 110.205 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -155.56 122.76 5.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.207 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -116.42 -32.88 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.513 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 75.0 m-20 -65.95 145.11 56.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.727 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' SG ' HD11 ' A' ' 4' ' ' ILE . 34.7 t -79.34 107.04 11.81 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.32 116.15 28.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 84.2 m -77.68 129.16 35.19 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.323 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HG2' ' CE1' ' A' ' 31' ' ' HIS . 85.5 mt-10 -70.58 117.53 12.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.993 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.086 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 2.7 p30 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.914 0.388 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.846 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 50.1 tptt -148.42 122.8 9.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.168 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tt -91.05 100.74 13.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 30.1 pt -85.61 -29.75 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.017 0.437 . . . . 0.0 110.465 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.38 -166.11 36.9 Favored Glycine 0 N--CA 1.45 -0.387 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.89 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -83.4 139.78 32.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.062 0.458 . . . . 0.0 110.718 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -88.92 -27.97 20.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.425 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -88.15 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.109 0.481 . . . . 0.0 111.475 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 27.3 t90 -74.91 116.42 15.63 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.47 -47.18 0.42 Allowed Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.34 151.91 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.333 . . . . 0.0 110.243 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.1 t -63.3 -40.48 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.284 0.564 . . . . 0.0 110.209 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -80.24 38.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.346 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -71.72 122.97 21.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.58 ' HB ' ' SG ' ' A' ' 40' ' ' CYS . 31.0 m -85.9 136.51 33.26 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.813 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.3 t -53.98 -48.06 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.167 0.508 . . . . 0.0 110.675 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -165.98 113.41 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.6 m -54.41 -57.62 10.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.101 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.53 -47.04 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.398 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.02 -49.91 53.42 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 27.4 tt0 -64.77 -40.73 95.75 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.686 -178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 99.2 m -60.23 -45.65 92.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.975 0.416 . . . . 0.0 110.149 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.87 -38.6 88.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -61.67 -50.23 73.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.267 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 73.8 mtt180 -61.43 -36.32 80.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.954 -179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.79 33.68 0.55 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.654 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -113.1 162.38 16.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 43' ' ' GLU . 41.2 mmtm -57.05 -43.44 82.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 0.0 110.464 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.97 -147.97 10.87 Favored Glycine 0 N--CA 1.442 -0.938 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.564 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.51 123.96 1.2 Allowed Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.5 p-80 -108.2 19.25 20.15 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.928 0.344 . . . . 0.0 111.928 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.5 t 56.45 -121.74 1.61 Allowed 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.605 ' HA3' ' HB2' ' A' ' 37' ' ' ASN . . . 167.63 -59.58 0.22 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.006 179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.0 m 64.89 160.87 0.12 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 122.928 0.491 . . . . 0.0 112.031 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.452 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 13.4 t80 68.95 -61.93 0.41 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.468 0.707 . . . . 0.0 111.382 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' HG ' ' CD2' ' A' ' 35' ' ' PHE . 71.5 mt -120.55 -53.25 2.11 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.605 ' HB2' ' HA3' ' A' ' 33' ' ' GLY . 4.9 m120 -77.58 57.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.127 178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -76.93 47.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.327 0.584 . . . . 0.0 111.019 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -145.69 153.85 41.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.147 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.58 ' SG ' ' HB ' ' A' ' 15' ' ' THR . 36.9 m -74.4 85.28 1.98 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.327 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -82.2 112.2 19.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.59 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.846 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 71.4 m -79.24 134.86 36.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.238 179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 91.2 mt-10 -77.58 126.17 30.47 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.147 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 34.4 m-20 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -113.17 129.42 56.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 56.4 tp -72.96 127.73 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.13 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 18' ' ' CYS . 36.1 pt -120.08 -33.53 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.083 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.43 -160.28 24.88 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.748 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t -105.18 134.95 47.42 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.86 0.13 57.35 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.209 0.528 . . . . 0.0 109.938 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.603 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 91.2 t -87.49 130.66 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.424 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -75.16 63.25 1.29 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.332 0.587 . . . . 0.0 110.79 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.11 53.5 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.25 159.94 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.654 0.264 . . . . 0.0 110.89 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.54 134.26 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 58.9 t30 65.55 57.6 0.86 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.939 0.876 . . . . 0.0 110.409 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -76.08 139.38 41.35 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.766 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.8 m -148.63 125.14 11.0 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.2 t -106.42 -49.02 3.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -83.18 50.78 1.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.326 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.681 ' HB3' HD11 ' A' ' 4' ' ' ILE . 36.7 m -61.99 -46.25 90.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.884 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 16.2 t-20 -50.7 -45.6 58.46 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.171 0.294 . . . . 0.0 111.403 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.01 -46.34 82.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.223 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -74.19 -41.17 61.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -57.36 -48.27 79.47 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.36 0.6 . . . . 0.0 109.605 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -64.63 -39.89 94.5 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.375 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -60.04 -50.14 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.751 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 95.2 mtt180 -58.0 -39.07 77.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.011 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.91 32.19 1.22 Allowed Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.736 -0.665 . . . . 0.0 113.341 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -87.63 -172.87 4.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.987 0.393 . . . . 0.0 110.49 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -69.94 -43.06 72.38 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.87 -148.4 8.94 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.806 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -162.43 142.82 8.22 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.37 20.12 1.89 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.78 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 15.5 t 61.14 -119.25 0.76 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.536 ' N ' ' SG ' ' A' ' 32' ' ' CYS . . . -179.31 119.47 0.65 Allowed Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.8 t -161.71 43.65 0.15 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -149.3 78.82 1.39 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.087 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.2 mt 60.0 34.7 21.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.268 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -167.24 134.25 2.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.066 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.603 ' HB ' ' CG2' ' A' ' 8' ' ' VAL . 34.3 m -97.96 -21.85 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.949 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 61.7 m-80 -65.39 156.46 32.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.202 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.78 ' SG ' ' HA ' ' A' ' 32' ' ' CYS . 0.5 OUTLIER -93.87 126.66 39.2 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.753 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 56.5 m95 -120.45 134.32 55.29 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' SG ' HD13 ' A' ' 4' ' ' ILE . 57.1 m -82.24 128.84 34.58 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 175.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.35 130.02 44.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.415 0.626 . . . . 0.0 111.307 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.252 1.196 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.321 -179.878 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.871 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 25.3 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.778 0.323 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 42' ' ' CYS . 23.7 tptm -101.01 120.06 39.64 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 39' ' ' ASN . 62.0 tp -75.64 123.26 25.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.627 0.251 . . . . 0.0 111.084 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.428 HD13 ' SG ' ' A' ' 42' ' ' CYS . 43.8 pt -120.92 -34.6 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.749 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.1 -150.42 6.19 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.289 -0.957 . . . . 0.0 112.597 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -127.2 131.84 50.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.744 0.307 . . . . 0.0 110.78 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.9 m -77.19 -31.71 55.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.794 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -71.48 139.77 19.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.431 0.634 . . . . 0.0 112.136 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -69.02 148.81 49.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.036 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.83 -39.68 2.77 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.322 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.02 145.85 49.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.57 0.224 . . . . 0.0 111.016 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.82 -52.38 58.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.607 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.68 48.17 1.61 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.331 0.586 . . . . 0.0 111.003 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -67.6 133.76 49.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 t -159.21 116.76 2.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.969 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 t -116.69 42.28 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.833 0.825 . . . . 0.0 109.426 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.56 38.34 0.23 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' HA ' ' HB3' ' A' ' 21' ' ' GLU . 63.8 m -67.43 -33.47 75.23 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.879 -178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.558 ' HA ' ' HA3' ' A' ' 30' ' ' GLY . 0.5 OUTLIER -51.02 -44.7 61.05 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' A' ' 24' ' ' ARG . . . -73.0 -47.02 48.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.409 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 14.4 tp10 -55.35 -50.12 70.49 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.598 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.8 m -58.77 -43.76 90.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.396 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.87 -40.67 98.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.367 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 20' ' ' ALA . 69.0 mtp85 -62.85 -50.44 70.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.695 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -56.69 -37.77 71.34 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.319 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.01 34.41 0.68 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.159 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 42.8 m-85 -104.78 -176.15 3.0 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' HG2' ' HA ' ' A' ' 44' ' ' THR . 48.2 mmtm -71.79 -49.81 35.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.13 0.491 . . . . 0.0 109.701 179.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -176.3 -153.43 10.57 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.83 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.558 ' HA3' ' HA ' ' A' ' 19' ' ' ASN . . . -152.98 145.59 13.23 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -158.51 17.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 34.7 t 59.08 -138.93 0.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.701 ' O ' ' HA ' ' A' ' 37' ' ' ASN . . . 151.98 -139.34 7.01 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.063 -1.065 . . . . 0.0 112.588 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.6 m 71.88 155.54 0.15 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.153 0.581 . . . . 0.0 111.633 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -53.52 -38.14 63.46 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.095 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 mt -135.77 31.14 3.07 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.473 -0.142 . . . . 0.0 110.646 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.701 ' HA ' ' O ' ' A' ' 33' ' ' GLY . 22.1 t-20 63.8 119.93 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.901 0.751 . . . . 0.0 112.006 179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -173.23 -42.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.479 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.517 ' HB3' HD13 ' A' ' 3' ' ' LEU . 72.8 m-20 -100.1 141.94 32.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.676 0.274 . . . . 0.0 110.711 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.9 120.09 28.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.871 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 61.0 m95 -116.16 126.17 53.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.666 -178.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 93.8 m -89.71 134.53 34.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.107 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 27' ' ' TYR . 24.5 mm-40 -73.65 135.37 43.76 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 27' ' ' TYR . 14.9 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.087 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.938 0.399 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -86.78 133.54 33.64 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 39' ' ' ASN . 44.6 tp -92.59 108.98 20.39 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.527 HD13 ' SG ' ' A' ' 42' ' ' CYS . 49.7 pt -101.05 -32.36 3.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 C-N-CA 120.605 -0.438 . . . . 0.0 112.037 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.12 -140.1 3.06 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.077 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -148.99 151.86 35.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.802 0.334 . . . . 0.0 110.848 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.45 ' HB2' HG12 ' A' ' 38' ' ' VAL . 91.5 m -90.98 2.59 56.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.54 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.609 HG23 ' HB ' ' A' ' 38' ' ' VAL . 70.5 t -82.03 126.32 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.776 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -68.45 143.44 55.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.244 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.48 -36.18 4.46 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.874 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.13 141.89 58.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.39 -41.23 80.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 111.192 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.19 37.75 0.87 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.515 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.98 129.15 37.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.02 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.3 t -105.86 137.91 42.94 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.081 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 m -60.23 -37.23 79.72 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.607 0.718 . . . . 0.0 109.621 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.67 HD22 ' HB2' ' A' ' 20' ' ' ALA . 54.9 t30 -163.83 116.53 1.44 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.434 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 12.7 t -53.08 -54.66 32.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.436 -177.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.71 -43.41 85.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.353 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB2' HD22 ' A' ' 17' ' ' ASN . . . -60.92 -54.56 43.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 36.1 tt0 -59.24 -44.44 92.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.467 0.175 . . . . 0.0 111.166 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.33 -44.26 92.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.646 ' HE3' ' HA ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -61.63 -42.16 98.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.28 178.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 20' ' ' ALA . 24.7 mmm180 -57.76 -51.44 69.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.08 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 88.0 mtt180 -61.66 -34.17 75.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.286 -179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.27 22.51 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.76 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -89.44 151.4 22.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -52.78 -42.15 64.75 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.209 0.528 . . . . 0.0 110.238 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.0 -157.08 8.71 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.32 143.93 5.93 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.166 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -167.41 109.35 0.64 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.233 0.54 . . . . 0.0 111.065 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.854 ' HB3' ' HA ' ' A' ' 40' ' ' CYS . 4.6 p -64.23 131.98 48.96 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.146 179.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.481 ' O ' ' HA ' ' A' ' 38' ' ' VAL . . . -128.11 -147.82 6.63 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m 53.12 61.8 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -34.19 -30.87 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -177.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.8 mt -68.25 -43.36 78.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 118.341 0.519 . . . . 0.0 111.888 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 14.0 t-20 -106.93 -29.9 9.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.8 0.333 . . . . 0.0 111.2 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.609 ' HB ' HG23 ' A' ' 8' ' ' VAL . 6.8 t 66.8 48.23 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 122.31 1.052 . . . . 0.0 110.613 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.591 ' HB3' HD13 ' A' ' 3' ' ' LEU . 62.0 m-80 -67.13 127.45 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.321 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.854 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . 39.6 t -72.64 109.53 6.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.44 ' H ' ' HA ' ' A' ' 32' ' ' CYS . 89.0 m95 -100.43 118.07 35.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.226 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.527 ' SG ' HD13 ' A' ' 4' ' ' ILE . 61.4 m -88.24 125.01 34.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.56 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -70.05 88.5 0.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.557 0.694 . . . . 0.0 109.461 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.501 -1.227 . . . . 0.0 110.951 -178.356 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 47.9 p-10 . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.017 0.437 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.86 140.26 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 39' ' ' ASN . 52.3 tp -87.81 129.64 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.464 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.408 HD12 ' OE1' ' A' ' 21' ' ' GLU . 21.0 pt -113.05 -33.31 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.126 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.37 -156.34 15.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.133 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -100.78 140.31 35.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.268 0.556 . . . . 0.0 111.112 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 37' ' ' ASN . 46.8 t -97.44 -9.5 27.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.884 179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.6 t -70.08 132.23 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.815 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -70.03 134.69 48.54 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.7 -11.98 62.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.572 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.34 149.23 50.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.663 0.268 . . . . 0.0 110.656 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.13 -46.72 94.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.95 0.405 . . . . 0.0 110.788 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.84 28.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.987 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -74.03 123.5 24.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 16' ' ' SER . 12.2 t -101.3 20.73 15.28 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.982 -178.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 15' ' ' THR . 13.1 t 69.03 -47.28 0.57 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.398 0.679 . . . . 0.0 112.238 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -156.38 117.0 3.7 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -67.83 -51.27 50.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.827 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -50.11 -45.18 52.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.241 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.77 -45.21 90.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.872 0.368 . . . . 0.0 111.411 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' HG2' ' HD2' ' A' ' 25' ' ' ARG . 83.3 tt0 -67.92 -43.66 78.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.183 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.2 m -60.19 -48.2 82.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.818 179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.64 -49.31 76.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.8 mtm180 -58.46 -49.82 75.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.22 0.533 . . . . 0.0 111.095 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.52 ' HD2' ' HG2' ' A' ' 21' ' ' GLU . 17.5 mtt85 -59.37 -34.05 71.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.289 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.69 43.99 0.56 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.343 -0.932 . . . . 0.0 113.178 178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -114.8 162.55 16.72 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -55.91 -41.76 75.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.279 0.561 . . . . 0.0 110.218 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.37 -146.89 8.55 Favored Glycine 0 N--CA 1.44 -1.061 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.798 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.68 139.92 4.26 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -146.87 25.9 1.13 Allowed 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 41' ' ' TRP . 47.7 m 58.56 -144.7 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' HD1' ' A' ' 41' ' ' TRP . . . 159.36 -150.01 20.2 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.676 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.403 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 14.4 t 69.44 -139.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -76.26 -48.66 19.43 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.28 66.85 0.9 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.774 0.321 . . . . 0.0 111.733 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' ' SG ' ' A' ' 7' ' ' CYS . 4.5 m120 60.98 51.45 4.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 110.237 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 34' ' ' SER . 57.7 t -86.91 -59.7 2.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.649 -179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.667 ' HB3' HD13 ' A' ' 3' ' ' LEU . 4.6 m120 -92.91 141.5 28.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.235 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.64 79.88 5.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.917 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.436 ' NE1' ' HB2' ' A' ' 39' ' ' ASN . 72.0 m95 -81.08 116.11 20.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 1' ' ' ASP . 94.8 m -86.8 128.74 35.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.063 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.17 118.38 13.88 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.663 -178.34 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 1.2 m-20 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.694 ' HG3' ' HB2' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -88.4 137.28 32.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.552 ' CD1' ' HB3' ' A' ' 39' ' ' ASN . 57.0 tp -92.3 113.08 25.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.441 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.503 HG12 ' SG ' ' A' ' 40' ' ' CYS . 8.9 pt -103.15 -30.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.039 0.447 . . . . 0.0 110.288 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.52 -139.53 4.34 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.794 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 14' ' ' TYR . 36.0 t -147.16 140.09 25.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 32.5 m -84.94 43.35 0.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.133 0.492 . . . . 0.0 110.676 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -119.75 135.57 59.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.711 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -80.68 54.5 2.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.456 0.646 . . . . 0.0 110.591 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.36 44.9 0.17 Allowed Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.51 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.7 142.91 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 t -79.03 45.07 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.633 0.73 . . . . 0.0 110.63 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -163.07 30.27 0.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.976 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 6' ' ' SER . 51.5 t80 -81.36 128.42 33.82 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -105.82 142.18 35.98 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 m -49.54 -46.61 48.83 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.544 0.688 . . . . 0.0 109.539 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.739 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 74.1 m-20 -149.2 129.56 13.8 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 44.8 t -59.18 -42.34 90.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.597 0.713 . . . . 0.0 110.405 -179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.73 ' HA ' ' OH ' ' A' ' 27' ' ' TYR . 2.3 t-20 -74.27 -47.41 35.15 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.19 179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . . . -53.22 -55.72 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -55.12 -56.12 23.45 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.083 0.468 . . . . 0.0 111.44 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.704 ' HA ' ' HD2' ' A' ' 25' ' ' ARG . 96.6 m -64.16 -35.15 79.85 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.799 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 19' ' ' ASN . 18.5 tptm -62.8 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -62.6 -46.73 86.95 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.492 177.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.704 ' HD2' ' HA ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -60.45 -36.03 77.27 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.983 -179.215 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.19 51.75 0.39 Allowed Glycine 0 C--N 1.335 0.49 0 C-N-CA 120.203 -0.999 . . . . 0.0 115.121 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.73 ' OH ' ' HA ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -113.92 -176.44 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.891 0.845 . . . . 0.0 110.433 178.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -79.84 -51.76 8.74 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 43' ' ' GLU . . . -175.99 161.9 30.67 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.396 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.51 159.75 27.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.563 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -144.58 5.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 17.6 t 53.05 -122.91 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.355 0.409 . . . . 0.0 109.98 -179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.16 143.02 14.12 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.041 -0.599 . . . . 0.0 111.762 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -156.29 37.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.346 0.593 . . . . 0.0 110.075 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -171.29 73.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.2 mt 73.96 -43.81 0.55 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.07 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -69.06 129.79 40.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.858 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.2 m -107.58 -5.3 10.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.357 0.599 . . . . 0.0 110.354 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.552 ' HB3' ' CD1' ' A' ' 3' ' ' LEU . 75.3 m-20 -71.22 145.5 49.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.148 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' SG ' HG12 ' A' ' 4' ' ' ILE . 3.7 t -81.26 106.18 13.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.806 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 1' ' ' ASP . 96.3 m95 -100.29 115.85 30.9 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.241 0.543 . . . . 0.0 110.694 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.694 ' HB2' ' HG3' ' A' ' 2' ' ' LYS . 52.0 m -104.11 128.43 51.76 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' GLY . 51.5 mt-10 -80.37 123.26 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.484 ' CG2' ' HE2' ' A' ' 2' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.638 -179.333 . . . . . . . . 2 2 . 1 stop_ save_